Molecule ID: 128597

IUPAC Name: (2S)-2-amino-5-[[(1S)-1-carboxyethyl]amino]pentanoic acid

Description: The molecule is the N(5)-[(S)-1-carboxyethyl] derivative of L-ornithine. It is a L-ornithine derivative and a non-proteinogenic alpha-amino acid. It is a tautomer of a N(5)-(L-1-carboxyethyl)-L-ornithine dizwitterion.

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

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

InChI: InChI=1S/C8H16N2O4/c1-5(7(11)12)10-4-2-3-6(9)8(13)14/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -5.4