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Overview of HWSHVKNLMBMKSR-GHMZBOCLSA-N

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[(4R,6R)-6-(2-Amino-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic acid tert-butyl ester
PharmaCompass
[(4R,6R)-6-(2-Amino-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic acid tert-butyl ester
Also known as: 125995-13-3, (4r,6r)-tert-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, Tert-butyl 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, Ak-24707, St50405961
Molecular Formula
C14H27NO4
Molecular Weight
273.373  g/mol
InChI Key
HWSHVKNLMBMKSR-GHMZBOCLSA-N

1 2D Structure

[(4R,6R)-6-(2-Amino-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic acid tert-butyl ester

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
2.1.2 InChI
InChI=1S/C14H27NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6-9,15H2,1-5H3/t10-,11-/m1/s1
2.1.3 InChI Key
HWSHVKNLMBMKSR-GHMZBOCLSA-N
2.1.4 Canonical SMILES
CC1(OC(CC(O1)CC(=O)OC(C)(C)C)CCN)C
2.1.5 Isomeric SMILES
CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CCN)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 125995-13-3

2. (4r,6r)-tert-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

3. Tert-butyl 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

4. (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

5. Ak-24707

6. St50405961

7. Tert-butyl 2-((4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

8. (4r,cis)-1,1-dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate

9. Ac1mc0s8

10. Schembl916725

11. Ctk0i0746

12. Molport-003-845-961

13. Acn-s002927

14. Ebd10618

15. Zinc4284042

16. Anw-18569

17. Mfcd07369252

18. Akos015894231

19. Am90285

20. Cs-w003388

21. Ks-000000s6

22. Aj-50160

23. Bc220390

24. Br-24707

25. Ds-10700

26. Kb-62883

27. Sc-00667

28. Sy004944

29. Ab0068585

30. Ax8005792

31. Db-005514

32. Rt-005565

33. Ft-0082676

34. Ft-0601343

35. St24032058

36. 95b133

37. 995b133

38. C-17230

39. J-005316

40. I14-37938

41. (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-

42. (4r,6r)-tert-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4acetate

43. (+/-)-cis-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

44. (4r)-2,2-dimethyl-6beta-(2-aminoethyl)-1,3-dioxane-4beta-acetic Acid Tert-butyl Ester

45. (4r,6r)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, Aldrichcpr

46. (4r-cis)-1,1-dimethyethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

47. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl) -2,2-dimethyl-1,3-dioxane-4-acetate

48. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)- 2,2-dimethyl-1,3-dioxane-4-acetate

49. (4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

50. (4r-cis)-1,1-dimethylethyl-6-aminoethyl-2,2-dimethyl-1,3-dioxoane-4-acetate

51. (4r-cis)-1,1dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

52. [(4r,6r)-6-(2-amino-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic Acid Tert-butyl Ester

53. 1,1-dimethylethyl (4r-cis)-6-aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate

54. 2-[(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic Acid Tert-butyl Ester

55. T-butyl 2-((4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-yl)acetate

56. Tert-butyl [(4r,6r)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

57. 1,3-dioxane-4-acetic Acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl Ester, (4r,6r)-

58. 1,3-dioxane-4-aceticacid,6-(2-aminoethyl-2-13c)-2,2-dimethyl-,1,1-dimethylethyl Ester,(4r-cis)-(9ci)

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 273.373 g/mol
Molecular Formula C14H27NO4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass273.194 g/mol
Monoisotopic Mass273.194 g/mol
Topological Polar Surface Area70.8 A^2
Heavy Atom Count19
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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