Molecule ID: 236

IUPAC Name: 2,4-diamino-4-oxobutanoic acid

Description: The molecule is an alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. It has a role as a Daphnia magna metabolite and an algal metabolite. It is an alpha-amino acid, a dicarboxylic acid monoamide and a polar amino acid. It contains a 2-amino-2-oxoethyl group. It is a conjugate base of an asparaginium. It is a conjugate acid of an asparaginate.

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

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

InChI: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -3.4