Molecule ID: 440046

IUPAC Name: 3,4-dihydro-2H-pyrrole-5-carboxylic acid

Description: The molecule is the product resulting from formal oxidation of DL-proline by loss of hydrogen from the nitrogen and from the carbon alpha to the carboxylic acid, with the formation of a C=N bond. It is a conjugate acid of a 1-pyrroline-2-carboxylate. It is a tautomer of a 1-pyrroline-2-carboxylic acid zwitterion.

SMILES: O=C(O)C1=NCCC1

SELFIES: [O][=C][Branch1][C][O][C][=N][C][C][C][Ring1][Branch1]

InChI: InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: -0.4