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2D Structure
Also known as: 203661-71-6, 6-boc-2-oxo-6-aza-spiro[3.4]octane, Mfcd17016202, 6-boc-6-azaspiro[3.4]octan-2-one, 2-oxo-6-aza-spiro[3.4]octane-6-carboxylic acid tert-butyl-ester, 6-n-boc-2-oxo-6-aza-spiro[3.4]octane
Molecular Formula
C12H19NO3
Molecular Weight
225.28  g/mol
InChI Key
WQPZESPYNGQLQA-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
2.1.2 InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-5-4-12(8-13)6-9(14)7-12/h4-8H2,1-3H3
2.1.3 InChI Key
WQPZESPYNGQLQA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CC(=O)C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 203661-71-6

2. 6-boc-2-oxo-6-aza-spiro[3.4]octane

3. Mfcd17016202

4. 6-boc-6-azaspiro[3.4]octan-2-one

5. 2-oxo-6-aza-spiro[3.4]octane-6-carboxylic Acid Tert-butyl-ester

6. 6-n-boc-2-oxo-6-aza-spiro[3.4]octane

7. Schembl6114652

8. Amsp00009

9. Dtxsid40634989

10. Bbl103233

11. Stl557043

12. Zinc91302550

13. 2-oxo-6-aza-spiro[3.4]octane-6-carboxylic Acid Tert-butyl Ester

14. 2-oxo-6-azaspiro[3.4]octane-6-carboxylic Acid 1,1-dimethylethyl Ester

15. Akos016015812

16. 6-boc-2-oxo-6-azaspiro[3.4]octane

17. 6-boc-6-azaspiro[3.4]octane-2-one

18. Pb27101

19. Ss-4905

20. Ac-32014

21. Am803478

22. Da-25728

23. Sy097230

24. Cs-0036797

25. Ft-0703214

26. Au-004/43508422

27. Tert-butyl2-oxo-6-azaspiro[3.4]octane-6-carboxylate

28. Tert-butyl 2-oxo-6-aza-spiro[3.4]octane-6-carboxylate

29. 2-oxo-6-aza-spiro[3.4]octane-6-carboxylicacidtert-butylester

30. Tert-butyl 2-oxo-7-azaspiro[3.4]octane-7-carboxylate

31. 6-azaspiro[3.4]octane-6-carboxylic Acid,2-oxo-,1,1-dimethylethyl Ester

32. 6-azaspiro[3.4]octane-6-carboxylic Acid, 2-oxo-, 1,1-dimethylethyl Ester

2.3 Create Date
2007-12-06
3 Chemical and Physical Properties
Molecular Weight 225.28 g/mol
Molecular Formula C12H19NO3
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass225.13649347 g/mol
Monoisotopic Mass225.13649347 g/mol
Topological Polar Surface Area46.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1