3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride

C7H12ClNO3 — CID 155895019

IUPAC3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CCC(COC1)N2
InChIInChI=1S/C7H11NO3.ClH/c9-6(10)7-2-1-5(8-7)3-11-4-7;/h5,8H,1-4H2,(H,9,10);1H
InChIKeyGOLUXVGPXSEDFG-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.01
Rot. Bonds1

About 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride

3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride (PubChem CID 155895019) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
PubChem CID155895019
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Name3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CCC(COC1)N2
InChIInChI=1S/C7H11NO3.ClH/c9-6(10)7-2-1-5(8-7)3-11-4-7;/h5,8H,1-4H2,(H,9,10);1H
InChIKeyGOLUXVGPXSEDFG-UHFFFAOYSA-N
XLogP0.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride (CID 155895019) is 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C12CCC(COC1)N2.
What is the InChIKey of 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride?
The InChIKey is GOLUXVGPXSEDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.ClH/c9-6(10)7-2-1-5(8-7)3-11-4-7;/h5,8H,1-4H2,(H,9,10);1H.
What are the key properties of 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride?
3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155895019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).