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Chemistry

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Also known as: 543-24-8, Aceturic acid, Acetamidoacetic acid, 2-acetamidoacetic acid, Ac-gly-oh, Acetylglycine
Molecular Formula
C4H7NO3
Molecular Weight
117.10  g/mol
InChI Key
OKJIRPAQVSHGFK-UHFFFAOYSA-N
FDA UNII
U2UT4677KR

N-Acetylglycine
acetylamino-acetic acid is a natural product found in Candida tropicalis, Drosophila melanogaster, and Homo sapiens with data available.
1 2D Structure

N-Acetylglycine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-acetamidoacetic acid
2.1.2 InChI
InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
2.1.3 InChI Key
OKJIRPAQVSHGFK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)NCC(=O)O
2.2 Other Identifiers
2.2.1 UNII
U2UT4677KR
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Aceturic Acid

2. Acetylglycinate

2.3.2 Depositor-Supplied Synonyms

1. 543-24-8

2. Aceturic Acid

3. Acetamidoacetic Acid

4. 2-acetamidoacetic Acid

5. Ac-gly-oh

6. Acetylglycine

7. Glycine, N-acetyl-

8. Acetylaminoacetic Acid

9. Acetylglycocoll

10. Acetylamino-acetic Acid

11. Ethanoylaminoethanoic Acid

12. N-acetyl-glycine

13. (acetylamino)acetic Acid

14. Acetyl-glycine

15. Acetyl Glycine

16. 2-(acetylamino)acetic Acid

17. 2-acetamidoacetate

18. Nsc 7605

19. Mfcd00004275

20. U2ut4677kr

21. Chebi:40410

22. Aceturate

23. Nsc-7605

24. Acetamidoacetate

25. N-acetylglycine Sodium Salt

26. Unii-u2ut4677kr

27. Acetyl-glycin

28. N-acetyl Glycine

29. Ac Gly

30. Einecs 208-839-6

31. Ethanoylaminoethanoate

32. Ch3conhch2cooh

33. Substrate Analogue, 15

34. Ai3-17738

35. N-acetyl-l-glycine

36. Bmse000610

37. Aceturic Acid [mi]

38. Schembl5876

39. 15n-acetylglycine A-radical

40. N-alpha-acetyl-glycine

41. Chembl289004

42. Dtxsid2043793

43. Bdbm82197

44. Nsc7605

45. Act08307

46. Albb-019763

47. Hy-y0069

48. Zinc1683660

49. Ac8343

50. Bbl020087

51. S3098

52. Stk256622

53. Akos000118774

54. Ab00351

55. Am81782

56. Cs-w020121

57. Db02713

58. N-acetylglycine, Reagentplus(r), 99%

59. Ncgc00320093-01

60. Ac-24104

61. As-12785

62. Sy013515

63. Db-030111

64. A0093

65. Eu-0096429

66. Ft-0629819

67. A-1250

68. Ab00374931-02

69. Ab00374931-04

70. N-acetylglycine, Vetec(tm) Reagent Grade, 98%

71. 10.14272/okjirpaqvshgfk-uhfffaoysa-n.1

72. 543a248

73. Ab-131/40177771

74. N-acetylglycine Acetylglycine Acetamidoacetic Acid

75. Doi:10.14272/okjirpaqvshgfk-uhfffaoysa-n.1

76. Q15634040

77. Z85886676

78. 19fc14b9-9bf4-46b1-9a63-d3b6cfb535ed

79. F0921-6976

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 117.10 g/mol
Molecular Formula C4H7NO3
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass117.042593085 g/mol
Monoisotopic Mass117.042593085 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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10-Oct-2023
10-Oct-2023
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