4-aminocyclohexane-1-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 24720880

IUPAC4-aminocyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NC1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13NO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyHXZSYUOXTKQNNY-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.01
Rot. Bonds1

About 4-aminocyclohexane-1-carboxylic acid;hydrochloride

4-aminocyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 24720880) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 4-aminocyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-aminocyclohexane-1-carboxylic acid;hydrochloride
PubChem CID24720880
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name4-aminocyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NC1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13NO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H
InChIKeyHXZSYUOXTKQNNY-UHFFFAOYSA-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 4-aminocyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-aminocyclohexane-1-carboxylic acid;hydrochloride (CID 24720880) is 4-aminocyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-aminocyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-aminocyclohexane-1-carboxylic acid;hydrochloride is Cl.NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-aminocyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is HXZSYUOXTKQNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H.
What are the key properties of 4-aminocyclohexane-1-carboxylic acid;hydrochloride?
4-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 4-aminocyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 24720880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).