D-Leucine

Synopsis, Chemistry

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Also known as: 328-38-1, H-d-leu-oh, (2r)-2-amino-4-methylpentanoic acid, (r)-leucine, Leucine, d-, (r)-(-)-leucine

Molecular Formula

C₆H₁₃NO₂

Molecular Weight

131.17 g/mol

InChI Key

ROHFNLRQFUQHCH-RXMQYKEDSA-N

FDA UNII

965COD96YA

1 2D Structure

D-Leucine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-amino-4-methylpentanoic acid

2.1.2 InChI

InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1

2.1.3 InChI Key

ROHFNLRQFUQHCH-RXMQYKEDSA-N

2.1.4 Canonical SMILES

CC(C)CC(C(=O)O)N

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

965COD96YA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 328-38-1

2. H-d-leu-oh

3. (2r)-2-amino-4-methylpentanoic Acid

4. (r)-leucine

5. Leucine, D-

6. (r)-(-)-leucine

7. (r)-2-amino-4-methylpentanoic Acid

8. D-homo-valine

9. D-2-amino-4-methylvaleric Acid

10. D-leu

11. D-leucin

12. D-leuzin

13. Chebi:28225

14. (2r)-2-azaniumyl-4-methylpentanoate

15. 965cod96ya

16. Ncgc00163335-01

17. Dsstox_cid_26347

18. Dsstox_rid_81551

19. Dsstox_gsid_46347

20. Dle

21. Leucine,d

22. Mfcd00063088

23. Cas-328-38-1

24. Unii-965cod96ya

25. Nsc-77687

26. D-2-amino-4-methylpentanoic Acid

27. (d)-leucine

28. Einecs 206-327-7

29. Nsc 77687

30. D-leu42

31. Ai3-52422

32. Schembl42012

33. D-leucineleucine, D-

34. Chembl1232258

35. Dtxsid6046347

36. Zinc388396

37. (r)-2-amino-4-methylvaleric Acid

38. Act04820

39. Bcp30475

40. Cs-d1369

41. D-leucine, Reagentplus(r), 99%

42. Hy-y0378

43. Tox21_112049

44. Bdbm50463213

45. (r)-2-amino-4-methyl-pentanoic Acid

46. Akos015841823

47. Tox21_112049_1

48. Ac-8658

49. Am81870

50. Db01746

51. (2r)-2-amino-4-methyl-pentanoic Acid

52. Ncgc00013565-03

53. Ncgc00163335-02

54. Ncgc00163335-03

55. As-12286

56. D-leucine, Vetec(tm) Reagent Grade, 97%

57. (r)-4-methyl-2-aminopentanoic Acid

58. L0027

59. C01570

60. Q16081973

61. F1905-7150

62. Z966690616

63. D-2-amino-4-methylpentanoic Acid;(r)-leucine;h-d-leu-oh

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₃NO₂
Molecular Weight	131.17 g/mol
XLogP3	-1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	131.094628657 g/mol
Monoisotopic Mass	131.094628657 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
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