Molecule ID: 25243959

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

Description: The molecule is conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid. It has a role as a human metabolite. It is a conjugate base of a (S)-3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid, a 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-) and a 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid.

SMILES: O=C([O-])CCc1nc[nH]c1[O-]

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

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-2

Molecular Properties:
- Polar Surface Area: 91.9 Ų
- LogP: 1.1