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2D Structure
Also known as: 6238-34-2, 1-azabicyclo[2.2.2]octane-3-carboxylic acid;hydrochloride, 1-azabicyclo[2.2.2]octane-3-carboxylic acid hydrochloride, Schembl5105833, Schembl15329139, Dtxsid00506436
Molecular Formula
C8H14ClNO2
Molecular Weight
191.65  g/mol
InChI Key
LXHNHXQYRPDFPN-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-azabicyclo[2.2.2]octane-3-carboxylic acid;hydrochloride
2.1.2 InChI
InChI=1S/C8H13NO2.ClH/c10-8(11)7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5H2,(H,10,11);1H
2.1.3 InChI Key
LXHNHXQYRPDFPN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)C(=O)O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6238-34-2

2. 1-azabicyclo[2.2.2]octane-3-carboxylic Acid;hydrochloride

3. 1-azabicyclo[2.2.2]octane-3-carboxylic Acid Hydrochloride

4. Schembl5105833

5. Schembl15329139

6. Dtxsid00506436

7. Mfcd00509584

8. Akos000425104

9. Akos016844365

10. Ab92116

11. Quinuclidine-3-carboxylicacidhydrochloride

12. 3-quinuclidinecarboxylic Acid Hydrochloride

13. Db-083275

14. Cs-0454406

15. Ft-0711491

16. E80335

17. A917526

18. 1-azabicyclo[2.2.2]octane-3-carboxylic Acid--hydrogen Chloride (1/1)

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 191.65 g/mol
Molecular Formula C8H14ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass191.0713064 g/mol
Monoisotopic Mass191.0713064 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2