Molecule ID: 11756

IUPAC Name: 2-ethylpropanedioic acid

Description: The molecule is a dicarboxylic acid obtained by substitution of one of the methylene hydrogens of malonic acid by an ethyl group. It has a role as a human metabolite. It derives from a malonic acid. It is a conjugate acid of an ethylmalonate and an ethylmalonate(2-).

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

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

InChI: InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.4