Molecule ID: 441

IUPAC Name: 3-hydroxybutanoic acid

Description: The molecule is a straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. It has a role as a human metabolite. It is a 3-hydroxy monocarboxylic acid, a hydroxybutyric acid and an (omega-1)-hydroxy fatty acid. It derives from a butyric acid. It is a conjugate acid of a 3-hydroxybutyrate.

SMILES: CC(O)CC(=O)O

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

InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: -0.5