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CAS 361440-67-7 manufacturers and suppliers on PharmaCompass

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CAS 361440-67-7
Also known as: 361440-67-7, (1s,3s,5s)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate, Tert-butyl (1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate, (1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-carboxamide, 1523348-12-0, (1s,3s,5s)-2-boc-2-azabicyclo-[3.1.0]hexane-3-carboxamide
Molecular Formula
C11H18N2O3
Molecular Weight
226.27  g/mol
InChI Key
VLAGXRRGXCNITB-FXQIFTODSA-N

1 2D Structure

CAS 361440-67-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl (1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
2.1.2 InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-4-6(7)5-8(13)9(12)14/h6-8H,4-5H2,1-3H3,(H2,12,14)/t6-,7-,8-/m0/s1
2.1.3 InChI Key
VLAGXRRGXCNITB-FXQIFTODSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1C2CC2CC1C(=O)N
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 361440-67-7

2. (1s,3s,5s)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

3. Tert-butyl (1s,3s,5s)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

4. (1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-carboxamide

5. 1523348-12-0

6. (1s,3s,5s)-2-boc-2-azabicyclo-[3.1.0]hexane-3-carboxamide

7. Rel-(1s,3s,5s)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

8. 2-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl Ester, (1s,3s,5s)-

9. Schembl3508700

10. Dtxsid40679951

11. Mfcd13151933

12. Zinc66348872

13. Akos015901870

14. Ds-1892

15. Ac-24666

16. Da-17981

17. Am20090694

18. Cs-0030786

19. J3.509.417b

20. P19739

21. 440a677

22. W-202501

23. (1s,3s,5s)-2-boc-3-carbamoyl-2-azabicyclo[3.1.0]hexane

24. (1beta,5beta)-3alpha-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylic Acid Tert-butyl Ester

25. (1s,3s,5s)-3-(aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 1,1-dimethylethyl Ester

26. (1s,3s,5s)-3-aminocarbonyl-2-azabicyclo[3.1.0]hexane-2-carboxylic Acid, 1,1-dimethylethyl Ester

2.3 Create Date
2011-05-17
3 Chemical and Physical Properties
Molecular Weight 226.27 g/mol
Molecular Formula C11H18N2O3
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass226.13174244 g/mol
Monoisotopic Mass226.13174244 g/mol
Topological Polar Surface Area72.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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