3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride

C9H16ClNO2 — CID 47003583

IUPAC3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1C2CCCC1CNC2
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)8-6-2-1-3-7(8)5-10-4-6;/h6-8,10H,1-5H2,(H,11,12);1H
InChIKeyGTTFCBYXLRURIO-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.13
Rot. Bonds1

About 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride

3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride (PubChem CID 47003583) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride
PubChem CID47003583
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1C2CCCC1CNC2
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)8-6-2-1-3-7(8)5-10-4-6;/h6-8,10H,1-5H2,(H,11,12);1H
InChIKeyGTTFCBYXLRURIO-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride?
The IUPAC name of 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride (CID 47003583) is 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride?
The canonical SMILES for 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride is Cl.O=C(O)C1C2CCCC1CNC2.
What is the InChIKey of 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride?
The InChIKey is GTTFCBYXLRURIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c11-9(12)8-6-2-1-3-7(8)5-10-4-6;/h6-8,10H,1-5H2,(H,11,12);1H.
What are the key properties of 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride?
3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.1]nonane-9-carboxylic acid;hydrochloride is sourced from PubChem (CID 47003583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).