NCGC00024493-01

Synopsis, Chemistry

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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

NCGC00024493-01

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 Formula	C₃H₇NO₂
Molecular Weight	89.09 g/mol
XLogP3	-3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	89.047678466 g/mol
Monoisotopic Mass	89.047678466 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.8
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