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2D Structure
Also known as: 120728-10-1, N-boc-1-aminocyclobutanecarboxylic acid, Boc-1-aminocyclobutane-1-carboxylic acid, 1-(boc-amino)cyclobutanecarboxylic acid, N-boc-1-aminocyclobutane carboxylic acid, 1-n-boc-amino-cyclobutane carboxylic acid
Molecular Formula
C10H17NO4
Molecular Weight
215.25  g/mol
InChI Key
ROVVUKFHORPDSM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
2.1.3 InChI Key
ROVVUKFHORPDSM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC1(CCC1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 120728-10-1

2. N-boc-1-aminocyclobutanecarboxylic Acid

3. Boc-1-aminocyclobutane-1-carboxylic Acid

4. 1-(boc-amino)cyclobutanecarboxylic Acid

5. N-boc-1-aminocyclobutane Carboxylic Acid

6. 1-n-boc-amino-cyclobutane Carboxylic Acid

7. Boc-1-amino-1-cyclobutanecarboxylic Acid

8. 1-(tert-butoxycarbonylamino)cyclobutanecarboxylic Acid

9. 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic Acid

10. 1-{[(tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic Acid

11. Mfcd02682623

12. 1-tert-butoxycarbonylamino-cyclobutanecarboxylic Acid

13. 1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylic Acid

14. 1-((tert-butoxycarbonyl)amino)cyclobutane-1-carboxylic Acid

15. 1-[(tert-butoxycarbonyl)amino]cyclobutane-1-carboxylic Acid

16. Boc-acb(1)-oh

17. Cyclobutanecarboxylic Acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-

18. Schembl202837

19. 1-aminocyclobutyl-1-carboxylic Acid, N-boc Protected

20. Dtxsid00363748

21. Bcp21384

22. Cs-m2532

23. Bbl102875

24. Stl556683

25. 1-boc-aminocyclobutanecarboxylic Acid

26. Akos013153309

27. Tert-butyl 1-carboxycyclobutylcarbamate

28. Ac-5715

29. Sb12347

30. Am803036

31. Ds-12107

32. Sy002608

33. 1-(boc-amino)cyclobutane-1-carboxylic Acid

34. Db-031711

35. A2527

36. B6086

37. En300-111901

38. N-boc-1-aminocyclobutane Carboxylic Acid, 97%

39. 1-tert-butoxycarbonylaminocyclobutanecarboxylic Acid

40. Q-102250

41. N-tert-butoxycarbonyl-1-aminocyclobutanecarboxylic Acid

42. 1-((tert-butoxycarbonyl)amino)cyclobutanecarboxylicacid

43. 1-(tert-butoxycarbonylamino)cyclobutane Carboxylic Acid

44. 1-(t-butyloxycarbonyl-amino)-cyclobutyl-1-carboxylic Acid

45. 1-(tert-butoxy-carbonylamino)-cyclobutane-1-carboxylic Acid

46. 1-((1,1-dimethylethoxycarbonyl)amino)cyclobutanecarboxylic Acid

47. 1-({[(1,1-dimethylethyl)oxy]carbonyl}amino)cyclobutanecarboxylic Acid

48. 1-(tert-butoxycarbonyl)cyclobutanecarboxylic Acid;1-(boc-amino)cyclobutanecarboxylic Acid

2.3 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 215.25 g/mol
Molecular Formula C10H17NO4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area75.6
Heavy Atom Count15
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1