Molecule ID: 193187

IUPAC Name: (2S)-6-amino-2-[[(1R)-1-carboxyethyl]amino]hexanoic acid

Description: The molecule is the N(2)-(R)-1-carboxyethyl derivative of L-lysine. It is an amino acid opine and a L-lysine derivative. It is a tautomer of a D-lysopine dizwitterion.

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

SELFIES: [C][C@@H1][Branch1][#C][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -5.0