Molecule ID: 3446

IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid

Description: The molecule is a gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome. It has a role as an anticonvulsant, a calcium channel blocker, an environmental contaminant and a xenobiotic. It derives from a gamma-aminobutyric acid.

SMILES: NCC1(CC(=O)O)CCCCC1

SELFIES: [N][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][#Branch2]

InChI: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -1.1