Molecule ID: 7006467

IUPAC Name: [(5S)-5-acetamido-6-methoxy-6-oxohexyl]azanium

Description: The molecule is an organic cation that is the conjugate acid of N(alpha)-acetyl-L-lysine methyl ester, obtained by protonation of the side-chain amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It derives from a L-lysinium(1+). It is a conjugate acid of a N(alpha)-acetyl-L-lysine methyl ester.

SMILES: COC(=O)[C@H](CCCC[NH3+])N=C(C)O

SELFIES: [C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][NH3+1][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)/p+1/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 83.0 Ų
- LogP: -0.8