CAS 13734-41-3

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Also known as: 13734-41-3, Boc-val-oh, N-(tert-butoxycarbonyl)-l-valine, N-boc-l-valine, Tert-butoxycarbonylvaline, (s)-2-(boc-amino)-3-methylbutyric acid

Molecular Formula

C₁₀H₁₉NO₄

Molecular Weight

217.26 g/mol

InChI Key

SZXBQTSZISFIAO-ZETCQYMHSA-N

1 2D Structure

CAS 13734-41-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1

2.1.3 InChI Key

SZXBQTSZISFIAO-ZETCQYMHSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 13734-41-3

2. Boc-val-oh

3. N-(tert-butoxycarbonyl)-l-valine

4. N-boc-l-valine

5. Tert-butoxycarbonylvaline

6. (s)-2-(boc-amino)-3-methylbutyric Acid

7. Boc-l-val-oh

8. Boc-valine

9. Tert-butoxycarbonyl-l-valine

10. N-tert-butoxycarbonyl-l-valine

11. N-tert-butyloxycarbonyl-l-valine

12. (s)-2-((tert-butoxycarbonyl)amino)-3-methylbutanoic Acid

13. N-tert-butoxycarbonylvaline

14. Mfcd00065605

15. L-valine, N-[(1,1-dimethylethoxy)carbonyl]-

16. N-(tert-butoxycarbonyl)valine

17. N-((1,1-dimethylethoxy)carbonyl)-l-valine

18. Valine, N-[(1,1-dimethylethoxy)carbonyl]-

19. Valine, N-carboxy-, N-tert-butyl Ester, L-

20. (2s)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid

21. (2s)-2-[(tert-butoxycarbonyl)amino]-3-methylbutanoic Acid

22. L-valine, N-((1,1-dimethylethoxy)carbonyl)-

23. (s)-2-(tert-butoxycarbonylamino)-3-methylbutanoic Acid

24. (2s)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoic Acid

25. N-[(1,1-dimethylethoxy)carbonyl]-l-valine

26. (2s)-2-[[(tert-butoxy)carbonyl]amino]-3-methylbutanoic Acid

27. Bocvaloh

28. N-boc Valine

29. Boc-valoh

30. N-boc-valine

31. N-t-boc-l-val

32. (s)-n-boc-valine

33. Boc-l-valin

34. Einecs 237-307-6

35. N-boc-(l)-valine

36. (s)-boc-valine

37. Boc-(l)-valine

38. T-butoxycarbonylvaline

39. Boc-nh-val-oh

40. N-boc-val-oh

41. (tert-butoxycarbonyl)-l-valine

42. Nsc 197197

43. N-t-butyloxycarbonyl-n-methyl-l-valine

44. Boc-(l)-val

45. Boc-val

46. Boc-valine-oh

47. Boc-(l)-val-oh

48. N-t-butoxycarbonylvaline

49. (s)-2-(boc-amino)pentanoic Acid

50. T-butoxycarbonyl-l-valine

51. N-t-boc-l-valine

52. Unii-28r8gk7lbc

53. Ec 237-307-6

54. N-t-butyloxycarbonyl-valine

55. T-butyloxycarbonyl-l-valine

56. 28r8gk7lbc

57. Schembl59323

58. N-t-butyloxycarbonyl-l-valine

59. Tert-butyloxycarbonyl-l-valine

60. N-(t-butoxycarbonyl)-l-valine

61. N-tert-butoxycarbonyl L-valine

62. (s)-n-tert-butoxycarbonylvaline

63. Tertiarybutyloxycarbonyl-l-valine

64. N-(tert -butoxycarbonyl)-valine

65. Dtxsid50884635

66. N-(tert-butoxycarbony1)-l-valine

67. N-t-butoxycarbonyl-l-valine

68. (2s)-2-{[(tert-butoxy)carbonyl]amino}-3-methyl-butanoic Acid

69. Act03117

70. Albb-015814

71. N-(tert-butyloxycarbonyl)-l-valine

72. N-tert-butyloxycarbonyl-(l)-valine

73. Zinc2170237

74. N-((tert-butoxy)carbonyl)-l-valine

75. N-(tert-butoxycarbonyl)-(l)-valine

76. Akos005175164

77. Akos015841611

78. Am82367

79. Boc-val-oh, >=99.0% (t)

80. Cs-w002300

81. Hy-w002300

82. Ac-17119

83. As-12728

84. Bp-12966

85. Bp-23488

86. N-alpha-t-butyloxycarbonyl-l-valine

87. A9890

88. M03340

89. N-{[(1,1-dimethylethyl)oxy]carbonyl}-l-valine

90. (2s)-tert-butoxycarbonylamino-3-methylbutyric Acid

91. (s)-2-tertbutoxycarbonylamino-3-methylbutyric Acid

92. 734b413

93. (s)-2-tert-butoxycarbonylamino-3-methylbutyric Acid

94. J-300295

95. Q-200740

96. (s)-2-(t-butoxycarbonylamino)-3-methylbutanoic Acid

97. (s)-2-tert-butoxycarbonylamino-3-methyl-butyric Acid

98. (s)-2-tert-butoxycarbonylamino-3-methylbutanoic Acid

99. F0001-0471

100. Z1416203180

101. (s)-2-((tert-butoxycarbonyl) Amino)-3-methylbutanoic Acid

102. (s)-2-[[(tert-butoxy)carbonyl]amino]-3-methylbutanoic Acid

103. (2s)-2-[(1,1-dimethylethoxy)carbonylamino]-3-methylbutanoic Acid

2.3 Create Date

2005-07-11

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₉NO₄
Molecular Weight	217.26 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	217.13140809 g/mol
Monoisotopic Mass	217.13140809 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242
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