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Also known as: 159622-10-3, 213316-50-8, (1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic acid, (1r,2s)-1-{[(tert-butoxy)carbonyl]amino}-2-ethenylcyclopropane-1-carboxylic acid, Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1r,2s)-, (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-vinylcyclopropanecarboxylic acid
Molecular Formula
C11H17NO4
Molecular Weight
227.26  g/mol
InChI Key
RFAQWADNTLIWMG-RDDDGLTNSA-N

CAS 159622-10-3
1 2D Structure

CAS 159622-10-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C11H17NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,12,15)(H,13,14)/t7-,11-/m1/s1
2.1.3 InChI Key
RFAQWADNTLIWMG-RDDDGLTNSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC1(CC1C=C)C(=O)O
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C=C)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 159622-10-3

2. 213316-50-8

3. (1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic Acid

4. (1r,2s)-1-{[(tert-butoxy)carbonyl]amino}-2-ethenylcyclopropane-1-carboxylic Acid

5. Cyclopropanecarboxylic Acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1r,2s)-

6. (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-vinylcyclopropanecarboxylic Acid

7. (1r,2s)-1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylic Acid

8. (1r,2s)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic Acid

9. (1r,2s)-1-(tert-butoxycarbonyl)amino-2-vinylcyclopropanecarboxylic Acid

10. (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropanecarboxylic Acid

11. Rel-(1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic Acid

12. (1r,2s)-rel-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic Acid

13. (1r,2s)-1-(boc-amino)-2-vinylcyclopropanecarboxylic Acid

14. Mfcd11042412

15. Cyclopropanecarboxylic Acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1r,2s)-rel-

16. Lopropanecarboxylic Acid

17. Starbld0009780

18. Schembl312680

19. Dtxsid60438941

20. Amy10154

21. Cs-b0185

22. Zinc38530109

23. Akos015893032

24. Akos015994878

25. Ds-8248

26. Db-009089

27. B5322

28. C3420

29. D77334

30. (1r,2s)-1-tert-butoxycarbonylamino-2-vinylcyc

31. 221b777

32. A846770

33. J-500308

34. N-boc-(1r,2s)-1-amino-2-vinylcyclopropane Carboxylic Acid

35. (r)-tert-butoxycarbonylamino-2(s)-vinyl-cyclopropanecarboxylic Acid

36. 1(r)-tert-butoxycarbonylamino-2(s)-vinyl-cyclopropanecarboxylic Acid

37. 1(r)-tert-butoxycarbonylamino-2(s)-vinylcyclopropanecarboxylic Acid

38. (1r,2s)-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropanecarboxylic Acid

39. (1r,2s)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropane-carboxylic Acid

40. (1r,2s)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic Acid

41. (1r,2s)-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropane-1-carboxylic Acid

42. (1r,2s)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropane-1-carboxylic Acid

43. Cyclopropanecarboxylic Acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,(1r,2s)-

44. (1r,2s)-1-boc-2-vinylcyclopropanecarboxylic Acid;vinyl Acca;(1r,2s)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic Acid

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 227.26 g/mol
Molecular Formula C11H17NO4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass227.11575802 g/mol
Monoisotopic Mass227.11575802 g/mol
Topological Polar Surface Area75.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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