Molecule ID: 796

IUPAC Name: 2-iminobutanedioic acid

Description: The molecule is a succinic acid derivative having an imino group at the 2-position. It has a role as an Escherichia coli metabolite. It is a ketimine, a C4-dicarboxylic acid and an aspartic acid derivative. It derives from a succinic acid. It is a conjugate acid of an iminoaspartate and an iminoaspartate(1-).

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

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

InChI: InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)

Molecular Properties:
- Polar Surface Area: 98.4 Ų
- LogP: -0.5