1-aminocyclohexane-1-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 2724466

IUPAC1-aminocyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCCCC1
InChIInChI=1S/C7H13NO2.ClH/c8-7(6(9)10)4-2-1-3-5-7;/h1-5,8H2,(H,9,10);1H
InChIKeyGTKXSYHXQSKWNP-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.15
Rot. Bonds1

About 1-aminocyclohexane-1-carboxylic acid;hydrochloride

1-aminocyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 2724466) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 1-aminocyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-aminocyclohexane-1-carboxylic acid;hydrochloride
PubChem CID2724466
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name1-aminocyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CCCCC1
InChIInChI=1S/C7H13NO2.ClH/c8-7(6(9)10)4-2-1-3-5-7;/h1-5,8H2,(H,9,10);1H
InChIKeyGTKXSYHXQSKWNP-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-aminocyclohexane-1-carboxylic acid;hydrochloride (CID 2724466) is 1-aminocyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-aminocyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-aminocyclohexane-1-carboxylic acid;hydrochloride is Cl.NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-aminocyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is GTKXSYHXQSKWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c8-7(6(9)10)4-2-1-3-5-7;/h1-5,8H2,(H,9,10);1H.
What are the key properties of 1-aminocyclohexane-1-carboxylic acid;hydrochloride?
1-aminocyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 2724466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).