NP-MRD: Showing NP-Card for 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one (NP0284045)

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Record Information

Version

2.0

Created at

2022-09-09 11:34:30 UTC

Updated at

2022-09-09 11:34:31 UTC

NP-MRD ID

NP0284045

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one

Description

Phygrine belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Phygrine is a very strong basic compound (based on its pKa). 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one is found in Physalis angulata. Phygrine is an alkaloid from roots and aerial parts of Physalis alkekengi (winter cherry), the famine food Physalis angulata (cutleaf ground cherry), Physalis philadelphica (tomatillo), Physalis peruviana (Cape gooseberry), Physalis pubescens (ground cherry) and Physalis pruinosa (strawberry tomato).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 49  0  0  0  0  0  0  0  0999 V2000
    6.3388    0.5809    0.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3801    0.0567   -0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5685    0.2171   -1.3292 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1394   -0.6900    0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9979    0.2450    0.2096 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7567    0.8850   -1.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475    1.5849   -0.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6949    0.4163   -0.1472 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1523   -0.1880   -1.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -1.3212   -0.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911   -2.4696   -1.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2527   -1.2677   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1976   -0.1234   -0.3019 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7407    1.1879    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625    1.9157    0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0244    0.8170    0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3725   -0.4276    0.5644 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1916   -1.4416   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087   -0.3260    0.4595 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6387   -1.7028    0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7611    1.5362    0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7902    0.7714    1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280   -0.1737    1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018   -1.0529    1.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899   -1.5889   -0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1736    1.0832    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5600    1.5501   -1.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5472    0.0817   -1.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    2.3528   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8984    1.9295   -1.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174    0.8697    0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -0.5295   -2.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7944    0.5635   -1.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020   -1.2966    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8092   -2.2500   -0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4892    0.0208   -1.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711    1.7795   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3116    1.0296    1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3599    2.4833   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9775    2.6438    1.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3218    0.9117    1.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9274    0.8632    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2259   -1.0649   -0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7619   -1.8464   -0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2559   -2.2970    0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -2.3488   -0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   -1.9895    1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6883   -1.9804    1.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 10  1  0
 10 11  2  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  5 19  1  0
 19 20  1  0
 13 17  1  0
 19  8  1  0
 18 43  1  0
 18 44  1  0
 18 45  1  0
 16 41  1  0
 16 42  1  0
 15 39  1  0
 15 40  1  0
 14 37  1  0
 14 38  1  0
 13 36  1  6
 12 34  1  0
 12 35  1  0
  9 32  1  0
  9 33  1  0
  8 31  1  1
  7 29  1  0
  7 30  1  0
  6 27  1  0
  6 28  1  0
  5 26  1  1
  4 24  1  0
  4 25  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
 20 46  1  0
 20 47  1  0
 20 48  1  0
M  END


  Mrv0541 05061311232D          

 20 21  0  0  0  0            999 V2000
    8.9560    6.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434    2.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4496    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7629    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4176    6.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6106    6.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    1.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6506    5.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    3.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    5.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1355    6.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    3.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    5.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5244    5.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    4.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4280    2.6661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    5.2904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7999    7.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5244    3.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
 12  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17  2  1  0  0  0  0
 17  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 18 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 16  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0284045

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CCCC1CC(=O)CC1CCC(CC(C)=O)N1C

> <INCHI_IDENTIFIER>
InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3

> <INCHI_KEY>
UBFAEXSSMSJTQV-UHFFFAOYSA-N

> <FORMULA>
C16H28N2O2

> <MOLECULAR_WEIGHT>
280.4057

> <EXACT_MASS>
280.21507815

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
32.90202519001811

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one

> <ALOGPS_LOGP>
1.55

> <JCHEM_LOGP>
1.3988199683333327

> <ALOGPS_LOGS>
-1.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
18.610433124650104

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.58384465423778

> <JCHEM_PKA_STRONGEST_BASIC>
8.651389473348983

> <JCHEM_POLAR_SURFACE_AREA>
40.620000000000005

> <JCHEM_REFRACTIVITY>
80.87929999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.52e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      16.718  11.944   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.934   5.453   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.039   8.369   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.415   3.512   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.891   4.977   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.980  12.354   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.473  12.033   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.875   3.512   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.281  10.859   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.645   7.422   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.978   9.732   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.186  12.105   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.645   5.882   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.750  11.020   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.312  10.502   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.978   8.192   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       6.399   4.977   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      11.719   9.875   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0      14.560  13.512   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      10.312   7.422   0.000  0.00  0.00           O+0
CONECT    1   12                                                            
CONECT    2   17                                                            
CONECT    3   18                                                            
CONECT    4    5    8                                                       
CONECT    5    4   13                                                       
CONECT    6    7   14                                                       
CONECT    7    6   15                                                       
CONECT    8    4   17                                                       
CONECT    9   12   14                                                       
CONECT   10   13   16                                                       
CONECT   11   15   16                                                       
CONECT   12    1    9   19                                                  
CONECT   13    5   10   17                                                  
CONECT   14    6    9   18                                                  
CONECT   15    7   11   18                                                  
CONECT   16   10   11   20                                                  
CONECT   17    2    8   13                                                  
CONECT   18    3   14   15                                                  
CONECT   19   12                                                            
CONECT   20   16                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₈N₂O₂

Average Mass

280.4057 Da

Monoisotopic Mass

280.21508 Da

IUPAC Name

1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one

Traditional Name

1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one

CAS Registry Number

Not Available

SMILES

CN1CCCC1CC(=O)CC1CCC(CC(C)=O)N1C

InChI Identifier

InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3

InChI Key

UBFAEXSSMSJTQV-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Physalis angulata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Not Available

Sub Class

Not Available

Direct Parent

Alkaloids and derivatives

Alternative Parents

Substituents

Alkaloid or derivatives
Beta-aminoketone
N-alkylpyrrolidine
Pyrrolidine
Ketone
Tertiary amine
Tertiary aliphatic amine
Organoheterocyclic compound
Azacycle
Organopnictogen compound
Organic nitrogen compound
Amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	1.55	ALOGPS
logP	1.4	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	17.58	ChemAxon
pKa (Strongest Basic)	8.65	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	40.62 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	80.88 m³·mol⁻¹	ChemAxon
Polarizability	32.9 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0039754

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB019402

KNApSAcK ID

Not Available

Chemspider ID

8441165

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10265686

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one (NP0284045)

MOL for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

3D MOL for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

3D SDF for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

3D-SDF for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

PDB for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

3D PDB for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

SMILES for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

INCHI for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

Structure for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)

3D Structure for NP0284045 (1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one)