cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 171338316

IUPACcis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCN[C@@H]1CCCC[C@@H]1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-9-7-5-3-2-4-6(7)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7+;/m0./s1
InChIKeyGWFNNVHYQGXLAL-UOERWJHTSA-N
MW193.67 g/mol
LogP1.27
Rot. Bonds2

About cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride

cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 171338316) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID171338316
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namecis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCN[C@@H]1CCCC[C@@H]1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-9-7-5-3-2-4-6(7)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7+;/m0./s1
InChIKeyGWFNNVHYQGXLAL-UOERWJHTSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride (CID 171338316) is cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride is CN[C@@H]1CCCC[C@@H]1C(=O)O.Cl.
What is the InChIKey of cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is GWFNNVHYQGXLAL-UOERWJHTSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-9-7-5-3-2-4-6(7)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7+;/m0./s1.
What are the key properties of cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride?
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 171338316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).