Molecule ID: 449

IUPAC Name: 3,5-dihydroxy-3-methylpentanoic acid

Description: The molecule is a dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position. It has a role as a metabolite. It derives from a valeric acid. It is a conjugate acid of a mevalonate.

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

SELFIES: [C][C][Branch1][C][O][Branch1][Ring2][C][C][O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: -1.0