(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 133268759

IUPAC(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC[C@H]2CC[C@@H]1N2
InChIInChI=1S/C8H13NO2.ClH/c10-8(11)6-3-1-5-2-4-7(6)9-5;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6+,7-;/m0./s1
InChIKeyLIBOXYFYULDXLA-UHRUZOLSSA-N
MW191.66 g/mol
LogP1.02
Rot. Bonds1

About (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride

(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride (PubChem CID 133268759) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
PubChem CID133268759
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC[C@H]2CC[C@@H]1N2
InChIInChI=1S/C8H13NO2.ClH/c10-8(11)6-3-1-5-2-4-7(6)9-5;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6+,7-;/m0./s1
InChIKeyLIBOXYFYULDXLA-UHRUZOLSSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride?
The IUPAC name of (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride (CID 133268759) is (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CC[C@H]2CC[C@@H]1N2.
What is the InChIKey of (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride?
The InChIKey is LIBOXYFYULDXLA-UHRUZOLSSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-8(11)6-3-1-5-2-4-7(6)9-5;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6+,7-;/m0./s1.
What are the key properties of (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride?
(1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 133268759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).