Molecule ID: 188979

IUPAC Name: 2-(hydroxymethyl)butanoic acid

Description: The molecule is a branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism. It has a role as a human metabolite. It is a short-chain fatty acid, a branched-chain saturated fatty acid and a hydroxy fatty acid. It is a conjugate acid of a 2-ethylhydracrylate.

SMILES: CCC(CO)C(=O)O

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

InChI: InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.0