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

C7H14ClNO2 — CID 2734691

IUPACcis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1
InChIKeyQNIOBHOEZYKCJV-IBTYICNHSA-N
MW179.65 g/mol
LogP1.01
Rot. Bonds1

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

cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 2734691) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride
PubChem CID2734691
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namecis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1
InChIKeyQNIOBHOEZYKCJV-IBTYICNHSA-N
XLogP1.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride (CID 2734691) is cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride is Cl.N[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is QNIOBHOEZYKCJV-IBTYICNHSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1.
What are the key properties of cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride?
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 2734691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).