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Showing NP-Card for N-(2-Acetamido)iminodiacetic acid (NP0002630)

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Record Information
Version1.0
Created at2020-11-23 18:25:38 UTC
Updated at2021-08-12 19:51:42 UTC
NP-MRD IDNP0002630
Secondary Accession NumbersNone
Natural Product Identification
Common NameN-(2-Acetamido)iminodiacetic acid
Provided ByBMRBBMRB logo
DescriptionN-(2-Acetamido)Iminodiacetic Acid is also known as carbamoylmethylaminodiacetic acid or N-(2-acetamido)iminodiacetate. It was first documented in 2005 (PMID: 16194067). Based on a literature review a small amount of articles have been published on N-(2-Acetamido)Iminodiacetic Acid (PMID: 17984079) (PMID: 28110124) (PMID: 24005677) (PMID: 19585536).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0002630 (N-(2-Acetamido)iminodiacetic acid)


     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
    2.5451    2.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040    3.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3988    1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517   -0.1322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5936   -1.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4389   -2.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885   -3.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -2.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474   -0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2432   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8937   -1.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0885    0.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956    4.0351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904    1.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    0.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528    1.8699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6455   -2.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8328   -0.5260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800   -3.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350   -1.7405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8599    1.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5843    0.7695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  6
  4 17  1  0
  6 18  1  6
  6 19  1  0
  9 20  1  0
 10 21  1  6
 10 22  1  0
 13 23  1  0
M  END
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3D MOL for NP0002630 (N-(2-Acetamido)iminodiacetic acid)

NP0002630
     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
    2.6210    2.0522   -0.8258 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    1.2711   -0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9193    0.9504   -1.8831 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032    0.8938    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047    0.0960    0.4655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0911   -1.1941   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583   -2.0070    0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299   -1.5898    2.0554 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0885   -3.3042    0.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812    0.8731   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135    0.2402   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    0.8599   -0.5346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9393   -0.9928    0.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778    1.6774   -0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    3.0511   -1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6585    0.3198    1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017    1.8236    1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248   -1.6732   -0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061   -1.1790   -1.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3348   -4.0028    0.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4841    1.7445    0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1782    1.3644   -1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -1.2746    1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  4 17  1  0
  6 18  1  0
  6 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
 13 23  1  0
M  END
Download

3D SDF for NP0002630 (N-(2-Acetamido)iminodiacetic acid)


     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
    2.5451    2.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040    3.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3988    1.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2517   -0.1322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5936   -1.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4389   -2.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885   -3.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -2.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474   -0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2432   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8937   -1.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0885    0.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956    4.0351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904    1.4444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    0.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9528    1.8699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6455   -2.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8328   -0.5260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800   -3.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6350   -1.7405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8599    1.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5843    0.7695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  6
  4 17  1  0
  6 18  1  6
  6 19  1  0
  9 20  1  0
 10 21  1  6
 10 22  1  0
 13 23  1  0
M  END
> <DATABASE_ID>
NP0002630

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(=O)CN(CC(O)=O)CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)

> <INCHI_KEY>
QZTKDVCDBIDYMD-UHFFFAOYSA-N

> <FORMULA>
C6H10N2O5

> <MOLECULAR_WEIGHT>
190.154

> <EXACT_MASS>
190.05897144

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
16.645038752848453

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(carbamoylmethyl)(carboxymethyl)amino]acetic acid

> <ALOGPS_LOGP>
-1.60

> <JCHEM_LOGP>
-3.8947407561379506

> <ALOGPS_LOGS>
-0.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.057003491965791

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3085660821549125

> <JCHEM_PKA_STRONGEST_BASIC>
5.959106268002736

> <JCHEM_POLAR_SURFACE_AREA>
120.93

> <JCHEM_REFRACTIVITY>
40.0641

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.91e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(carbamoylmethyl)(carboxymethyl)amino]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for NP0002630 (N-(2-Acetamido)iminodiacetic acid)

NP0002630
     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
    2.6210    2.0522   -0.8258 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376    1.2711   -0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9193    0.9504   -1.8831 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032    0.8938    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3047    0.0960    0.4655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0911   -1.1941   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583   -2.0070    0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299   -1.5898    2.0554 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0885   -3.3042    0.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812    0.8731   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135    0.2402   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083    0.8599   -0.5346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9393   -0.9928    0.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778    1.6774   -0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021    3.0511   -1.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6585    0.3198    1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017    1.8236    1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248   -1.6732   -0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061   -1.1790   -1.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3348   -4.0028    0.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4841    1.7445    0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1782    1.3644   -1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -1.2746    1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  4 17  1  0
  6 18  1  0
  6 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
 13 23  1  0
M  END
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PDB for NP0002630 (N-(2-Acetamido)iminodiacetic acid)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       2.667  -8.827   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.667  -7.287   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.001  -6.517   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.334  -6.517   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       1.334  -4.977   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       0.000  -4.207   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -2.667   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.334  -1.897   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       1.334  -1.897   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.667  -4.207   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -2.667   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.041  -1.261   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       4.001  -1.897   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for NP0002630 (N-(2-Acetamido)iminodiacetic acid)

COMPND    NP0002630
HETATM    1  N1  UNL     1       2.621   2.052  -0.826  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.438   1.271  -0.787  1.00  0.00           C  
HETATM    3  O1  UNL     1       0.919   0.950  -1.883  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.903   0.894   0.549  1.00  0.00           C  
HETATM    5  N2  UNL     1      -0.305   0.096   0.465  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.091  -1.194  -0.076  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.658  -2.007   0.915  1.00  0.00           C  
HETATM    8  O2  UNL     1       0.930  -1.590   2.055  1.00  0.00           O  
HETATM    9  O3  UNL     1       1.089  -3.304   0.575  1.00  0.00           O  
HETATM   10  C5  UNL     1      -1.381   0.873  -0.001  1.00  0.00           C  
HETATM   11  C6  UNL     1      -2.713   0.240  -0.005  1.00  0.00           C  
HETATM   12  O4  UNL     1      -3.708   0.860  -0.535  1.00  0.00           O  
HETATM   13  O5  UNL     1      -2.939  -0.993   0.540  1.00  0.00           O  
HETATM   14  H1  UNL     1       3.578   1.677  -0.554  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.502   3.051  -1.148  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.658   0.320   1.106  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.602   1.824   1.117  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.025  -1.673  -0.339  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.506  -1.179  -1.032  1.00  0.00           H  
HETATM   20  H7  UNL     1       0.335  -4.003   0.558  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.484   1.745   0.725  1.00  0.00           H  
HETATM   22  H9  UNL     1      -1.178   1.364  -1.004  1.00  0.00           H  
HETATM   23  H10 UNL     1      -2.914  -1.275   1.493  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3    3    4
CONECT    4    5   16   17
CONECT    5    6   10
CONECT    6    7   18   19
CONECT    7    8    8    9
CONECT    9   20
CONECT   10   11   21   22
CONECT   11   12   12   13
CONECT   13   23
END
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SMILES for NP0002630 (N-(2-Acetamido)iminodiacetic acid)

NC(=O)CN(CC(O)=O)CC(O)=O
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INCHI for NP0002630 (N-(2-Acetamido)iminodiacetic acid)

InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
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Synonyms
ValueSource
(CARBAMOYLMETHYL-carboxymethyl-amino)-acetIC ACIDChEBI
Carbamoylmethylaminodiacetic acidChEBI
N-(2-Amino-2-oxoethyl)-N-(carboxymethyl)glycineChEBI
N-Carbamoylmethyliminodi(acetic acid)ChEBI
(CARBAMOYLMETHYL-carboxymethyl-amino)-acetateGenerator
CarbamoylmethylaminodiacetateGenerator
N-Carbamoylmethyliminodi(acetate)Generator
N-(2-Acetamido)iminodiacetateGenerator
N-(2-Acetamido)iminodiacetic acidChEBI
2,2'-[(2-Amino-2-oxoethyl)imino]diacetateGenerator
Chemical FormulaC6H10N2O5
Average Mass190.1540 Da
Monoisotopic Mass190.05897 Da
IUPAC Name2-[(carbamoylmethyl)(carboxymethyl)amino]acetic acid
Traditional Name[(carbamoylmethyl)(carboxymethyl)amino]acetic acid
CAS Registry NumberNot Available
SMILES
NC(=O)CN(CC(O)=O)CC(O)=O
InChI Identifier
InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChI KeyQZTKDVCDBIDYMD-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Tertiary amine
  • Tertiary aliphatic amine
  • Amino acid
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Amine
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.6ALOGPS
logP-3.9ChemAxon
logS-0.59ALOGPS
pKa (Strongest Acidic)2.31ChemAxon
pKa (Strongest Basic)5.96ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area120.93 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity40.06 m³·mol⁻¹ChemAxon
Polarizability16.65 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDDB02810
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID105243
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID43960
Good Scents IDNot Available
References
General References
  1. Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
  2. Lipowska M, Klenc J, Jarkas N, Marzilli LG, Taylor AT: Monoanionic (99m)Tc-tricarbonyl-aminopolycarboxylate complexes with uncharged pendant groups: Radiosynthesis and evaluation as potential renal tubular tracers. Nucl Med Biol. 2017 Apr;47:48-55. doi: 10.1016/j.nucmedbio.2016.12.008. Epub 2016 Dec 27. [PubMed:28110124 ]
  3. Hsieh YC, Chen MC, Hsu CC, Chan SI, Yang YS, Chen CJ: Crystal structures of vertebrate dihydropyrimidinase and complexes from Tetraodon nigroviridis with lysine carbamylation: metal and structural requirements for post-translational modification and function. J Biol Chem. 2013 Oct 18;288(42):30645-30658. doi: 10.1074/jbc.M113.496778. Epub 2013 Sep 4. [PubMed:24005677 ]
  4. Gillespie E, Connolly D, Nesterenko PN, Paull B: On-column titration and investigation of metal complex formation for aminopolycarboxylate functionalised monoliths using scanning contactless conductivity detection. J Sep Sci. 2009 Aug;32(15-16):2659-67. doi: 10.1002/jssc.200900232. [PubMed:19585536 ]
  5. Gerken BM, Wattenbach C, Linke D, Zorn H, Berger RG, Parlar H: Tweezing-adsorptive bubble separation. Analytical method for the selective and high enrichment of metalloenzymes. Anal Chem. 2005 Oct 1;77(19):6113-7. doi: 10.1021/ac050977s. [PubMed:16194067 ]