2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride

C7H12ClNO2 — CID 153284274

IUPAC2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC2CC1CN2
InChIInChI=1S/C7H11NO2.ClH/c9-7(10)6-2-5-1-4(6)3-8-5;/h4-6,8H,1-3H2,(H,9,10);1H
InChIKeyKPRZFKMTWXRXCX-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.49
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride

2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride (PubChem CID 153284274) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
PubChem CID153284274
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC2CC1CN2
InChIInChI=1S/C7H11NO2.ClH/c9-7(10)6-2-5-1-4(6)3-8-5;/h4-6,8H,1-3H2,(H,9,10);1H
InChIKeyKPRZFKMTWXRXCX-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride (CID 153284274) is 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC2CC1CN2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride?
The InChIKey is KPRZFKMTWXRXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c9-7(10)6-2-5-1-4(6)3-8-5;/h4-6,8H,1-3H2,(H,9,10);1H.
What are the key properties of 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride?
2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 153284274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).