Molecule ID: 21873141

IUPAC Name: 2-amino-6-[(3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]hexanoic acid

Description: The molecule is an N-acyl-amino acid that is lysine in which one of the amino nitrogens at position N6 is replaced by a 3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl group. It is a lysine derivative, a N-acyl-amino acid, a pyrroline and a secondary carboxamide.

SMILES: CC1CC=NC1C(O)=NCCCCC(N)C(=O)O

SELFIES: [C][C][C][C][=N][C][Ring1][Branch1][C][Branch1][C][O][=N][C][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: -2.8