(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride

C7H12ClNO2 — CID 162422519

IUPAC(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1C[C@H]2C[C@@H]1CN2
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/t4-,5-,6+;/m1./s1
InChIKeyKPRZFKMTWXRXCX-JMWSHJPJSA-N
MW177.63 g/mol
LogP0.49
Rot. Bonds1

About (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride

(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride (PubChem CID 162422519) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
PubChem CID162422519
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1C[C@H]2C[C@@H]1CN2
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/t4-,5-,6+;/m1./s1
InChIKeyKPRZFKMTWXRXCX-JMWSHJPJSA-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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Related Compounds

2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 153284274
methyl (1R,4S,5R)-2-azabicyclo[2.2.1]heptane-5-carboxylate
CID 121227040
2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride
CID 170912214
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
CID 168890480
ethane;5-methyl-2-azabicyclo[2.2.1]heptane
CID 156793137
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
6-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 141208605
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
CID 55279783
(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
CID 10822635

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride?
The IUPAC name of (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride (CID 162422519) is (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1C[C@H]2C[C@@H]1CN2.
What is the InChIKey of (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride?
The InChIKey is KPRZFKMTWXRXCX-JMWSHJPJSA-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/t4-,5-,6+;/m1./s1.
What are the key properties of (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride?
(1R,4S,5S)-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 (1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 162422519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).