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Technical details about NCGC00024494-02, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 338-69-2, (2r)-2-aminopropanoic acid, (r)-alanine, H-d-ala-oh, D-2-aminopropionic acid, D-ala
Molecular Formula
C3H7NO2
Molecular Weight
89.09  g/mol
InChI Key
QNAYBMKLOCPYGJ-UWTATZPHSA-N
FDA UNII
E3UDS4613U

D-Alanine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-aminopropanoic acid
2.1.2 InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
2.1.3 InChI Key
QNAYBMKLOCPYGJ-UWTATZPHSA-N
2.1.4 Canonical SMILES
CC(C(=O)O)N
2.1.5 Isomeric SMILES
C[C@H](C(=O)O)N
2.2 Other Identifiers
2.2.1 UNII
E3UDS4613U
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 338-69-2

2. (2r)-2-aminopropanoic Acid

3. (r)-alanine

4. H-d-ala-oh

5. D-2-aminopropionic Acid

6. D-ala

7. (r)-2-aminopropanoic Acid

8. D-alpha-alanine

9. Alanine, D-

10. Alanine D-form

11. (r)-2-aminopropionic Acid

12. Ba 2776

13. D-(-)-alanine

14. D-alpha-aminopropionsaeure

15. (r)-2-aminopropionsaeure

16. D-alanin

17. D-alpha-aminopropionic Acid

18. D-.alpha.-alanine

19. (2r)-2-azaniumylpropanoate

20. Chembl66693

21. E3uds4613u

22. Chebi:15570

23. Dal

24. Ncgc00024493-02

25. Mfcd00008077

26. Dsstox_cid_25649

27. Dsstox_rid_81027

28. Dsstox_gsid_45649

29. Cas-338-69-2

30. D(-)-.alpha.-alanine

31. Unii-e3uds4613u

32. Delta-alanine

33. D-a-alanine

34. R Alanine

35. Nsc-158286

36. (d)-alanine

37. Delta-alpha-alanine

38. Einecs 206-418-1

39. 3h-d-ala

40. Delta-(-)-alanine

41. Nsc 158286

42. D(-)-alpha-alanine

43. D(-)-a -alanine

44. Tocris-0204

45. D-alanine, >=99%

46. Bmse000236

47. Delta-2-aminopropionic Acid

48. (r)-2-amino Propionic Acid

49. Alanine D-form [mi]

50. Gtpl4678

51. (2r)-2-(amino)propanoic Acid

52. Dtxsid3045649

53. D-alanine, >=98% (hplc)

54. Act07928

55. Zinc4658556

56. Tox21_110903

57. Bdbm50000109

58. S3203

59. Akos015840336

60. Tox21_110903_1

61. Cs-w020127

62. Db01786

63. Ncgc00024493-01

64. Ncgc00024493-03

65. Ncgc00024494-02

66. As-56052

67. Hy-41700

68. A0177

69. Am20090517

70. D-alanine, Vetec(tm) Reagent Grade, >=98%

71. 38a692

72. A-4200

73. C00133

74. M02932

75. A847287

76. Sr-01000597686

77. Sr-01000597686-3

78. Q27076975

79. Z1259273326

80. 0c450b43-c901-4435-9e74-051222d815ea

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 89.09 g/mol
Molecular Formula C3H7NO2
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass89.047678466 g/mol
Monoisotopic Mass89.047678466 g/mol
Topological Polar Surface Area63.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity61.8
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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