Molecule ID: 192839

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

Description: The molecule is an optically active form of N-ethylasparagine having L-configuration. It is a N-ethylasparagine, a L-asparagine derivative and a non-proteinogenic L-alpha-amino acid.

SMILES: CCN[C@@H](CC(=N)O)C(=O)O

SELFIES: [C][C][N][C@@H1][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)/t4-/m0/s1

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