2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride

C8H14ClNO2 — CID 170912214

IUPAC2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)C[C@@H]1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C8H13NO2.ClH/c10-8(11)3-5-1-7-2-6(5)4-9-7;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6-,7+;/m0./s1
InChIKeyAHSRMFUEVYRHTF-LBZPYWGZSA-N
MW191.66 g/mol
LogP0.88
Rot. Bonds2

About 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride

2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride (PubChem CID 170912214) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride
PubChem CID170912214
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)C[C@@H]1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C8H13NO2.ClH/c10-8(11)3-5-1-7-2-6(5)4-9-7;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6-,7+;/m0./s1
InChIKeyAHSRMFUEVYRHTF-LBZPYWGZSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,4S,5S)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 162422519
2-azabicyclo[2.2.1]heptane-5-carboxylic acid;hydrochloride
CID 153284274
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
2-[(1R,2R)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769500
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769504
(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine
CID 121336326
5-butyl-2-azabicyclo[2.2.1]heptane
CID 69403972
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)acetic acid
CID 586767
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride (CID 170912214) is 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride is Cl.O=C(O)C[C@@H]1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride?
The InChIKey is AHSRMFUEVYRHTF-LBZPYWGZSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-8(11)3-5-1-7-2-6(5)4-9-7;/h5-7,9H,1-4H2,(H,10,11);1H/t5-,6-,7+;/m0./s1.
What are the key properties of 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride?
2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]acetic acid;hydrochloride is sourced from PubChem (CID 170912214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).