Molecule ID: 5459982

IUPAC Name: 2-methylpropanedioate

Description: The molecule is a C4-dicarboxylate resulting from the removal of a proton from both carboxylic acid groups of methylmalonic acid. It has a role as a human metabolite. It derives from a malonate(2-). It is a conjugate base of a methylmalonate(1-).

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

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

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

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 1.4