Molecule ID: 5459993

IUPAC Name: 3-hydroxy-3-methylpentanedioate

Description: The molecule is a dicarboxylic acid dianion that results from the removal of a proton from both of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid. It has a role as a human metabolite and a plant metabolite. It is a dicarboxylic acid dianion and a 3-hydroxydicarboxylate(2-). It derives from a glutarate(2-). It is a conjugate base of a 3-hydroxy-3-methylglutarate(1-).

SMILES: CC(O)(CC(=O)[O-])CC(=O)[O-]

SELFIES: [C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 0.1