7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride

C7H12ClNO2 — CID 20850000

IUPAC7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CCC(CC1)N2
InChIInChI=1S/C7H11NO2.ClH/c9-6(10)7-3-1-5(8-7)2-4-7;/h5,8H,1-4H2,(H,9,10);1H
InChIKeyVOWCROKHJCWGCX-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.78
Rot. Bonds1

About 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride

7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride (PubChem CID 20850000) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
PubChem CID20850000
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C12CCC(CC1)N2
InChIInChI=1S/C7H11NO2.ClH/c9-6(10)7-3-1-5(8-7)2-4-7;/h5,8H,1-4H2,(H,9,10);1H
InChIKeyVOWCROKHJCWGCX-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azabicyclo(2.2.1)heptane-3-carboxylic acid
CID 13206023
(3S)-2-Azabicyclo[2.2.1]heptane-3-carboxlic acid
CID 11062480
7-azabicyclo[2.2.1]heptane-1-carboxylic Acid
CID 10725441
(1R,3S,4S)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid hydrochloride
CID 20849996
(3R)-2-Azabicyclo(2.2.1)heptane-3-carboxylic acid
CID 23599162
Methyl 7-azabicyclo[2.2.1]heptane-1-carboxylate hydrochloride
CID 43810933
4-(Fluoromethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride
CID 177798974
4-Methyl-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 177798997
(3S)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 74892400
7-Azabicyclo[2.2.1]heptane-1,4-dicarboxylic acid
CID 25324131
8,8-Difluoro-1-azaspiro[4.5]decane-2-carboxylic acid
CID 170897644
4-(Fluoromethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 177798975

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride?
The IUPAC name of 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride (CID 20850000) is 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C12CCC(CC1)N2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride?
The InChIKey is VOWCROKHJCWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c9-6(10)7-3-1-5(8-7)2-4-7;/h5,8H,1-4H2,(H,9,10);1H.
What are the key properties of 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride?
7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 20850000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).