6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 43810831

IUPAC6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CCCC(CN1)C2
InChIInChI=1S/C8H13NO2.ClH/c10-7(11)8-3-1-2-6(4-8)5-9-8;/h6,9H,1-5H2,(H,10,11);1H
InChIKeyOWRHKHRQZNLOFL-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.02
Rot. Bonds1

About 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride

6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride (PubChem CID 43810831) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride
PubChem CID43810831
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CCCC(CN1)C2
InChIInChI=1S/C8H13NO2.ClH/c10-7(11)8-3-1-2-6(4-8)5-9-8;/h6,9H,1-5H2,(H,10,11);1H
InChIKeyOWRHKHRQZNLOFL-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride?
The IUPAC name of 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride (CID 43810831) is 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride?
The canonical SMILES for 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride is Cl.O=C(O)C12CCCC(CN1)C2.
What is the InChIKey of 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride?
The InChIKey is OWRHKHRQZNLOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-7(11)8-3-1-2-6(4-8)5-9-8;/h6,9H,1-5H2,(H,10,11);1H.
What are the key properties of 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride?
6-azabicyclo[3.2.1]octane-5-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 6-azabicyclo[3.2.1]octane-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 43810831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).