Molecule ID: 279

IUPAC Name: 2-(carbamoylamino)butanedioic acid

Description: The molecule is an N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a N-carbamoyl-amino acid, an aspartic acid derivative and a C4-dicarboxylic acid. It is a conjugate acid of a N-carbamoylaspartate(2-).

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

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

InChI: InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -1.9