Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate HCl

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1 Intermediates

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Chemistry

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Also known as: 565456-77-1, 848777-68-4, (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid methyl ester hydrochloride, Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride, (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid methyl ester hydrochloride, 33arm3z735

Molecular Formula

C₉H₁₆ClNO₂

Molecular Weight

205.68 g/mol

InChI Key

FKVUDBWXNAFSPB-MKXDVQRUSA-N

FDA UNII

33ARM3Z735

1 2D Structure

Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride

2.1.2 InChI

InChI=1S/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H/t5-,6-,7-;/m0./s1

2.1.3 InChI Key

FKVUDBWXNAFSPB-MKXDVQRUSA-N

2.1.4 Canonical SMILES

CC1(C2C1C(NC2)C(=O)OC)C.Cl

2.1.5 Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)OC)C.Cl

2.2 Other Identifiers

2.2.1 UNII

33ARM3Z735

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 565456-77-1

2. 848777-68-4

3. (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hydrochloride

4. Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hydrochloride

5. (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hydrochloride

6. 33arm3z735

7. Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hcl

8. Mfcd11865137

9. Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo(3.1.0)hexane-2-carboxylate Hydrochloride

10. Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo-[3.1.0]hexane-2-carboxylate Hydrochloride

11. 3-azabicyclo(3.1.0)hexane-2-carboxylic Acid, 6,6-dimethyl-, Methyl Ester, Hydrochloride (1:1), (1r,2s,5s)-

12. 3-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 6,6-dimethyl-, Methyl Ester, Hydrochloride (1:1), (1r,2s,5s)-

13. Schembl680110

14. Unii-33arm3z735

15. Amy19525

16. Bcp07588

17. Cs-b0867

18. Akos024463943

19. Ac-25850

20. As-50848

21. F53492

22. A851063

23. J-500330

24. Methyl 6,6-dimethyl-3-(1r,2s,5s)-azabicyclo[3.1.0]hexane-2-carboxylate

25. (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hcl

26. Methyl (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylate Hcl

27. Methyl (1s,4s,5r)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxylate Hydrochloride

28. (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hcl

29. (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic Acid Methyl Ester Hydrochloride;(1r,2s,5s)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hydrochloride

30. (1r,2s,5s)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylicacidmethylesterhydrochloride

31. (1r,2s,5s)-methyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hydrochloride

32. 3-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 6,6-dimethyl-, Methyl Ester, Hydrochloride, (1r,2s,5s)-

33. 3-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 6,6-dimethyl-, Methyl Ester,hydrochloride, (1r,2s,5s)- (9ci)

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₆ClNO₂
Molecular Weight	205.68 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.0869564 g/mol
Monoisotopic Mass	205.0869564 g/mol
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2