Molecule ID: 2724394

IUPAC Name: methyl (2S)-2-acetamido-6-aminohexanoate

Description: The molecule is an alpha-amino acid ester obtained by formal condensation of the carboxy group of N(alpha)-acetyl-L-lysine with the hydroxy group of methanol. It is a L-lysine derivative, an alpha-amino acid ester, a member of acetamides, a methyl ester and a primary amino compound. It is a conjugate base of a N(alpha)-acetyl-L-lysine methyl ester(1+).

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

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

InChI: InChI=1S/C9H18N2O3/c1-7(12)11-8(9(13)14-2)5-3-4-6-10/h8H,3-6,10H2,1-2H3,(H,11,12)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 81.4 Ų
- LogP: -0.8