CAS 127199-45-5

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Also known as: 127199-45-5, (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane, (s)-7-n-boc-amino-5-aza-spiro[2.4]heptane, Tert-butyl n-[(7s)-5-azaspiro[2.4]heptan-7-yl]carbamate, Carbamic acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester, Carbamic acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9ci)

Molecular Formula

C₁₁H₂₀N₂O₂

Molecular Weight

212.29 g/mol

InChI Key

CGEBPOMWRHSMLI-MRVPVSSYSA-N

1 2D Structure

CAS 127199-45-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate

2.1.2 InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

2.1.3 InChI Key

CGEBPOMWRHSMLI-MRVPVSSYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CNCC12CC2

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CNCC12CC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 127199-45-5

2. (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

3. (s)-7-n-boc-amino-5-aza-spiro[2.4]heptane

4. Tert-butyl N-[(7s)-5-azaspiro[2.4]heptan-7-yl]carbamate

5. Carbamic Acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

6. Carbamic Acid, (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester (9ci)

7. (s)-n-boc-5-azaspiro[2.4]heptan-7-amine

8. (s)-(5-aza-spiro[2.4]hept-7-yl)-carbamic Acid Tert-butyl Ester

9. (s)-7-(boc-amino)-5-azaspiro[2.4]heptane

10. (7s)-7-tert-butoxycarbonylamino-5-azaspiro(2.4)heptane

11. (7s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

12. Mfcd09955395

13. Schembl2738139

14. Amsp00024

15. Dtxsid40438560

16. Bcp10392

17. Zinc22007245

18. Akos016842277

19. Ac-8342

20. Am85538

21. Cs-w005356

22. As-20033

23. 199b455

24. (s)-tert-butyl5-azaspiro[2.4]heptan-7-ylcarbamate

25. J-502290

26. J-519986

27. 7-(s)-t-butoxycarbonylamino-5-azaspiro[2.4]heptane

28. Tert-butyl (7s)-5-azaspiro[2.4]heptan-7-ylcarbamate

29. 7-(s)-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane

30. Tert-butyl (s)-(5-azaspiro[2.4]heptan-7-yl)carbamate

31. 7-(s)-[tert-butoxycarbonylamino]-5-azaspiro[2.4]heptane

32. (7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

33. (s)-(5-aza-spiro2.4hept-7-yl)-carbamic Acid Tert-butyl Ester

34. 2-methyl-2-propanyl (7s)-5-azaspiro[2.4]hept-7-ylcarbamate

35. (s)-(5-azaspiro[2.4]hept-7-yl)-carbamic Acid Tert-butyl Ester

36. (s)-7-tert-butoxycarbonylamino-5-azaspiro[2.4]heptane, Aldrichcpr

37. Carbamic Acid, N-(7s)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl Ester

38. N-[(s)-5-azaspiro[2.4]heptan-7beta-yl]carbamic Acid Tert-butyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₀N₂O₂
Molecular Weight	212.29 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	212.152477885 g/mol
Monoisotopic Mass	212.152477885 g/mol
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	266
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1