BOC-3-iodo-alanine methyl ester

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2 End Use APIs
13 Related Intermediates

Chemistry

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Also known as: 93267-04-0, Boc-beta-iodo-ala-ome, Boc-3-iodo-l-alanine methyl ester, Boc-, A-iodo-ala-ome, N-(tert-butoxycarbonyl)-3-iodo-l-alanine methyl ester

Molecular Formula

C₉H₁₆INO₄

Molecular Weight

329.13 g/mol

InChI Key

UGZBFCCHLUWCQI-LURJTMIESA-N

1 2D Structure

CAS 93267-04-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2R)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

2.1.2 InChI

InChI=1S/C9H16INO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)/t6-/m0/s1

2.1.3 InChI Key

UGZBFCCHLUWCQI-LURJTMIESA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CI)C(=O)OC

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CI)C(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 93267-04-0

2. Boc-beta-iodo-ala-ome

3. Boc-3-iodo-l-alanine Methyl Ester

4. Boc-

5. A-iodo-ala-ome

6. N-(tert-butoxycarbonyl)-3-iodo-l-alanine Methyl Ester

7. (r)-methyl 2-(tert-butoxycarbonylamino)-3-iodopropanoate

8. Boc-3-iodo-l-ala-ome

9. N-boc-3-iodo-l-alanine Methyl Ester

10. Methyl (r)-2-((tert-butoxycarbonyl)amino)-3-iodopropanoate

11. Methyl (2r)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

12. (s)-boc-b-iodo-ala-ome

13. Methyl N-(tert-butoxycarbonyl)-3-iodo-l-alaninate

14. Tert-butyl (r)-1-(methoxycarbonyl)-2-iodoethylcarbamate

15. L-n-boc-3-iodoalanine Methyl Ester

16. Boc-?-iodo-ala-ome

17. (r)-boc-

18. A-iodo-ala-ome

19. Mfcd00216579

20. N-boc-3-iodoalanine Methyl Ester

21. Boc-ss-iodo-ala-ome

22. Boc-ala(3-i)-ome

23. Boc- Beta -iodo-ala-ome

24. Amgly00017

25. Schembl1519852

26. Boc-beta-iodo-ala-ome, 99%

27. Boc-3-iodo-alanine Methyl Ester

28. Dtxsid80447838

29. Boc-beta-iodo-alanine Methyl Ester

30. Act10948

31. Cs-m3115

32. Zinc2558986

33. Boc-beta-iodo-l-alanine Methyl Ester

34. Akos005259631

35. Gs-3464

36. Ac-28349

37. Hy-79676

38. Boc-beta-iodo-ala-ome, >=96.0% (gc)

39. Db-029539

40. Am20120710

41. B4044

42. M03256

43. 267b040

44. Methyl (2r)-2-{[(tert-butoxy)carbonyl]amino}-3-iodopropanoate

45. (r)-2-tert-butoxycarbonylamino-3-iodopropionic Acid Methyl Ester

46. Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, Methyl Ester

47. Methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-iodopropanoate

48. N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-l-alanine Methyl Ester

49. (l)-2-tert-butoxycarbonylamino-3-iodo-propionic Acid Methyl Ester (boc-l-ala(3-i)-ome)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₆INO₄
Molecular Weight	329.13 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	329.01241 g/mol
Monoisotopic Mass	329.01241 g/mol
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1