Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-12 16:10:20 UTC |
---|
Updated at | 2022-09-12 16:10:20 UTC |
---|
NP-MRD ID | NP0330634 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | n-[5-(1,2-dihydroxyethyl)-2-oxo-5h-furan-3-yl]ethanimidic acid |
---|
Description | N-[5-(1,2-dihydroxyethyl)-2-oxo-2,5-dihydrofuran-3-yl]ethanimidic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. N-[5-(1,2-dihydroxyethyl)-2-oxo-2,5-dihydrofuran-3-yl]ethanimidic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). |
---|
Structure | CC(=O)NC1=CC(OC1=O)C(O)CO InChI=1S/C8H11NO5/c1-4(11)9-5-2-7(6(12)3-10)14-8(5)13/h2,6-7,10,12H,3H2,1H3,(H,9,11) |
---|
Synonyms | Value | Source |
---|
N-[5-(1,2-Dihydroxyethyl)-2-oxo-2,5-dihydrofuran-3-yl]ethanimidate | Generator |
|
---|
Chemical Formula | C8H11NO5 |
---|
Average Mass | 201.1780 Da |
---|
Monoisotopic Mass | 201.06372 Da |
---|
IUPAC Name | N-[5-(1,2-dihydroxyethyl)-2-oxo-2,5-dihydrofuran-3-yl]acetamide |
---|
Traditional Name | N-[5-(1,2-dihydroxyethyl)-2-oxo-5H-furan-3-yl]acetamide |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(=O)NC1=CC(OC1=O)C(O)CO |
---|
InChI Identifier | InChI=1S/C8H11NO5/c1-4(11)9-5-2-7(6(12)3-10)14-8(5)13/h2,6-7,10,12H,3H2,1H3,(H,9,11) |
---|
InChI Key | XBJZBELDKOKZKH-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Carboxylic acids and derivatives |
---|
Sub Class | Amino acids, peptides, and analogues |
---|
Direct Parent | N-acyl-alpha amino acids and derivatives |
---|
Alternative Parents | |
---|
Substituents | - N-acyl-alpha amino acid or derivatives
- 2-furanone
- Dihydrofuran
- Acetamide
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- 1,2-diol
- Carboxamide group
- Carboxylic acid ester
- Lactone
- Secondary carboxylic acid amide
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Primary alcohol
- Organonitrogen compound
- Organooxygen compound
- 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 | |
---|