Molecule ID: 487

IUPAC Name: 2-methylpropanedioic acid

Description: The molecule is a dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group. It has a role as a human metabolite. It derives from a malonic acid. It is a conjugate acid of a methylmalonate(1-).

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

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

InChI: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)

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