Molecule ID: 86289401

IUPAC Name: 3-(4-hydroxy-1H-imidazol-5-yl)propanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid. It is a conjugate acid of a 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide.

SMILES: O=C([O-])CCc1nc[nH]c1O

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][N][=C][NH1][C][=Ring1][Branch1][O]

InChI: InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3,11H,1-2H2,(H,7,8)(H,9,10)/p-1

Molecular Properties:
- Polar Surface Area: 89.0 Ų
- LogP: 0.5