Molecule ID: 92779

IUPAC Name: 2-hydroxy-4-methylpentanoic acid

Description: The molecule is a valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in a patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a branched-chain fatty acid. It derives from a valeric acid. It is a conjugate acid of a 2-hydroxy-4-methylvalerate.

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

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

InChI: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.9