CAS 203661-71-6

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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

CAS 203661-71-6

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 Formula	C₁₂H₁₉NO₃
Molecular Weight	225.28 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	225.13649347 g/mol
Monoisotopic Mass	225.13649347 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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