CAS 120728-10-1

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1 End Use APIs
14 Related Intermediates

Chemistry

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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

CAS 120728-10-1

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 Formula	C₁₀H₁₇NO₄
Molecular Weight	215.25 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	75.6
Heavy Atom Count	15
Formal Charge	0
Complexity	276
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