2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride

C9H16ClNO2 — CID 68870296

IUPAC2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1CCC2CCC1CC2
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)10-6-5-7-1-3-8(10)4-2-7;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyGUIUFONPHGHODJ-UHFFFAOYSA-N
MW205.68 g/mol
LogP2.35
Rot. Bonds

About 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride

2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride (PubChem CID 68870296) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride
PubChem CID68870296
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1CCC2CCC1CC2
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)10-6-5-7-1-3-8(10)4-2-7;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyGUIUFONPHGHODJ-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azabicyclo[3.2.2]nonane-2-carboxylic acid
CID 67027465
3-Azabicyclo[3.2.2]nonane-3-carboxylic acid
CID 68450146

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride (CID 68870296) is 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride is Cl.O=C(O)N1CCC2CCC1CC2.
What is the InChIKey of 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride?
The InChIKey is GUIUFONPHGHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c11-9(12)10-6-5-7-1-3-8(10)4-2-7;/h7-8H,1-6H2,(H,11,12);1H.
What are the key properties of 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride?
2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.2.2]nonane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 68870296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).