Molecule ID: 69362

IUPAC Name: 3-hydroxy-3-methylbutanoic acid

Description: The molecule is a 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency. It has a role as a human metabolite. It derives from a butyric acid and an isovaleric acid. It is a conjugate acid of a 3-hydroxyisovalerate.

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

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

InChI: InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: -0.3