Molecule ID: 7408226

IUPAC Name: methyl (2S)-2-[(2-diazoacetyl)amino]hexanoate

Description: The molecule is a diazonium betaine obtained by the deprotonation of the hydroxy group of (Z)-2-hydroxy-2-{[(2S)-1-methoxy-1-oxohexan-2-yl]amino}ethenediazonium. It has a role as a metabolite. It is a diazonium betaine and a methyl ester.

SMILES: CCCC[C@H](NC(=O)C=[N+]=[N-])C(=O)OC

SELFIES: [C][C][C][C][C@H1][Branch1][=Branch2][N][C][=Branch1][C][=O][C][=N+1][=N-1][C][=Branch1][C][=O][O][C]

InChI: InChI=1S/C9H15N3O3/c1-3-4-5-7(9(14)15-2)12-8(13)6-11-10/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.4 Ų
- LogP: 1.0