Molecule ID: 348458

IUPAC Name: 4-amino-2-(ethylamino)-4-oxobutanoic acid

Description: The molecule is a dicarboxylic acid monoamide that is asparagine in which one of the hydrogens attached to the nitrogen of the alpha-amino group is replaced by an ethyl group. It is a dicarboxylic acid monoamide, a secondary amino compound, a non-proteinogenic alpha-amino acid and an asparagine derivative. It derives from an asparagine.

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

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

InChI: InChI=1S/C6H12N2O3/c1-2-8-4(6(10)11)3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)

Molecular Properties:
- Polar Surface Area: 92.4 Ų
- LogP: -3.6