Molecule ID: 440269

IUPAC Name: 3-hydroxy-3-methyl-2-oxopentanoic acid

Description: The molecule is a 3-hydroxylated derivative of 3-methyl-2-oxovaleric acid. It is a 2-oxo monocarboxylic acid, a 3-hydroxy monocarboxylic acid, an oxo fatty acid, a hydroxy fatty acid and a tertiary alpha-hydroxy ketone. It derives from a valeric acid. It is a conjugate acid of a 3-hydroxy-3-methyl-2-oxopentanoate.

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

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

InChI: InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.1