Molecule ID: 128

IUPAC Name: 3-(5-oxo-1,4-dihydroimidazol-4-yl)propanoic acid

Description: The molecule is an imidazol-4-one having a 2-carboxyethyl substituent at the 5-position. It has a role as a mouse metabolite. It is an imidazolone and a monocarboxylic acid. It is a conjugate acid of a 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide and a 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-).

SMILES: O=C(O)CCC1N=CN=C1O

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

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

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: -0.9