C1CCC(CC1)(CC(=O)O)CN
CAS: 60142-96-3
Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid
SMILES: C1CCC(CC1)(CC(=O)O)CN

Molecular Processing

Molecular formula
C9H17NO2
Molecular weight
171.24
Exact mass
171.1259
XLogP
1.37
TPSA
63.32
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
46.83

Supplementary Information

InChIKey: UGJMXCAKCUNAIE-UHFFFAOYSA-N
Synonyms
gabapentin60142-96-3Neurontin1-(Aminomethyl)cyclohexaneacetic acidGabapentine2-[1-(aminomethyl)cyclohexyl]acetic acidAcloniumGabapetinGabapentinumgabapentinaGabapentinoFanatrexGraliseCyclohexaneacetic acid, 1-(aminomethyl)-Goe-34502-(1-(aminomethyl)cyclohexyl)acetic acidCI-945Go 3450GabaroneDM-1796GOE 2450GOE 3450CI 945DTXSID0020074NSC-742194BRN 23597396CW7F3G59XNSC-759254DTXCID5074CHEBI:42797
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Involved in 127 reactions→

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