Also known as: 23680-31-1, N-boc-o-benzyl-l-serine, Boc-o-benzyl-l-serine, (s)-3-(benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acid, N-((1,1-dimethylethoxy)carbonyl)-o-(phenylmethyl)-l-serine, N-tert-butoxycarbonyl-o-benzyl-l-serine

Molecular Formula

C₁₅H₂₁NO₅

Molecular Weight

295.33 g/mol

InChI Key

DMBKPDOAQVGTST-LBPRGKRZSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid

2.1.2 InChI

InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

2.1.3 InChI Key

DMBKPDOAQVGTST-LBPRGKRZSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=O)O

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 23680-31-1

2. N-boc-o-benzyl-l-serine

3. Boc-o-benzyl-l-serine

4. (s)-3-(benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic Acid

5. N-((1,1-dimethylethoxy)carbonyl)-o-(phenylmethyl)-l-serine

6. N-tert-butoxycarbonyl-o-benzyl-l-serine

7. O-benzyl-n-(tert-butoxycarbonyl)-l-serine

8. N-(tert-butoxycarbonyl)-o-benzyl-l-serine

9. N-t-butoxycarbonyl-o-benzyl-l-serine

10. L-serine, N-[(1,1-dimethylethoxy)carbonyl]-o-(phenylmethyl)-

11. O-benzyl-n-tert-butyloxycarbonylserine

12. Alanine, 3-(benzyloxy)-n-carboxy-, N-tert-butyl Ester, L-

13. Boc-ser(bzl)

14. N-(tert-butoxycarbonyl)-o-benzylserine

15. (s)-3-(benzyloxy)-2-(tert-butoxycarbonylamino)propanoic Acid

16. L-serine, N-((1,1-dimethylethoxy)carbonyl)-o-(phenylmethyl)-

17. Mfcd00066063

18. Bocser(bzl)

19. Bocser(obzl)

20. Boc-o-benzylserine

21. Einecs 245-820-1

22. N-alpha-tert-boc-o-benzyl-l-serine

23. Boc-ser(obn)

24. Boc-ser(bn)-oh

25. Nsc 334364

26. N-boc-o-benzylserine

27. O-benzyl Boc-l-serine

28. Boc-o-benzyl L-serine

29. (o-benzyl) Boc Serine

30. Boc-l-ser(obzl)-oh

31. Schembl17051

32. Boc-ser(och2c6h5)-oh

33. N-boc-(o-benzyl)-l-serine

34. Chembl4958658

35. Dtxsid70885240

36. (2s)-3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanoic Acid

37. Act05142

38. Albb-015808

39. Zinc2539573

40. (2s)-3-(benzyl-oxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic Acid

41. Stl466181

42. T-butyloxycarbonyl-o-benzyl-l-serine

43. Akos005175154

44. Akos015924244

45. Cs-w004063

46. Hy-w004063

47. N-t-butyloxycarbonyl-o-benzyl-l-serine

48. N-(t-butoxycarbonyl)-o-benzyl-l-serine

49. N-tert-butoxycarbonyl O-benzyl L-serine

50. O-benzyl-n-(t-butoxycarbonyl)-l-serine

51. Ac-12300

52. Ac-17187

53. As-12200

54. Boc-ser(bzl)-oh, >=99.0% (t)

55. N-tert-butyloxycarbonyl-o-benzyl-l-serine

56. Nalpha-t-butoxycarbonyl-o-benzyl-l-serine

57. O-benzyl-n-(tert-butoxycarbonyl)serine #

58. N-(t-butoxycarbonyl)-o-benzyl-(l)-serine

59. N-tert.-butyloxycarbonyl-o-benzyl-l-serine

60. Nalpha -t-butoxycarbonyl-o-benzyl-l-serine

61. Am20040529

62. N-(tert-butyloxycarbonyl)-o-benzyl-l-serine

63. N-alpha-t-butyloxycarbonyl-o-benzyl-l-serine

64. M06197

65. 680b311

66. J-300236

67. Q-101720

68. (s)-3-benzyloxy-2-tertbutoxycarbonylaminopropionic Acid

69. (s)-3-benzyloxy-2-(tert Butoxycarbonylamino)propionic Acid

70. (2s)-3-benzyloxy-2-(tert-butoxycarbonylamino)propionic Acid

71. D-serine,n-(1,1-dimethylethoxy)carbonyl]-o-(phenylmethyl)-

72. (s)-3-(benzyloxy)-2-((tert-butoxycarbonyl)amino) Propanoic Acid

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₁NO₅
Molecular Weight	295.33 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	295.14197277 g/mol
Monoisotopic Mass	295.14197277 g/mol
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	345
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

L-Ser(Bzl)NCA

L-Ser(Bzl)NCA

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