N-Acetyl-DL-methionine

Synopsis, Chemistry

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Also known as: 1115-47-5, Ac-dl-met-oh, Acetyl-dl-methionine, Dl-methionine, n-acetyl-, Dl-n-acetylmethionine, Methionine, n-acetyl-

Molecular Formula

C₇H₁₃NO₃S

Molecular Weight

191.25 g/mol

InChI Key

XUYPXLNMDZIRQH-UHFFFAOYSA-N

FDA UNII

383941IGXN

1 2D Structure

N-Acetyl-DL-methionine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-acetamido-4-methylsulfanylbutanoic acid

2.1.2 InChI

InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)

2.1.3 InChI Key

XUYPXLNMDZIRQH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC(CCSC)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

383941IGXN

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hepsan

2. N-ac-l-methionine

3. N-acetyl-methionine

4. N-acetylmethionine

5. N-acetylmethionine Monopotassium Salt

6. N-acetylmethionine Monosodium Salt

7. N-acetylmethionine, (d)-isomer

8. N-acetylmethionine, (dl)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 1115-47-5

2. Ac-dl-met-oh

3. Acetyl-dl-methionine

4. Dl-methionine, N-acetyl-

5. Dl-n-acetylmethionine

6. Methionine, N-acetyl-

7. Methionine, N-acetyl-, Dl-

8. N-acetyl-d,l-methionine

9. N-acetylmethionine, Dl-

10. 2-acetamido-4-methylsulfanylbutanoic Acid

11. Dl-acetylmethionine

12. Ac-d-met-oh

13. 383941igxn

14. Nsc-7633

15. N-acetyl-methionine

16. Acetyl-d-methionine

17. 2-acetamido-4-(methylthio)butanoic Acid

18. (2rs)-2-(acetylamino)-4-(methylsulfanyl)butanoic Acid (n-acetyl-dl-methionine)

19. N-acetyl(methyl)homocysteine

20. 4-04-00-03205 (beilstein Handbook Reference)

21. Nsc 7633

22. Einecs 214-224-3

23. N-acetyl(methyl)homocysteine #

24. Brn 1725554

25. Unii-383941igxn

26. Mfcd00064441

27. Nsc-118514

28. Ac-met

29. Mfcd00008681

30. Ac-dl-met

31. 2-acetamido-4-methylsulfanyl-butanoic Acid

32. 2-acetylamino-4-methylsulfanyl-butyric Acid

33. Wln: 1vmyvq2s1

34. Chembl45002

35. Schembl109680

36. Dtxsid5037022

37. Xuypxlnmdzirqh-uhfffaoysa-

38. N-acetylmethionine Dl-form

39. Nsc7633

40. Chebi:132958

41. Hms3604i21

42. Albb-023615

43. Nsc118514

44. S3087

45. Stk387102

46. Akos000133585

47. Akos016843017

48. Fs-3977

49. Hy-w019704

50. N-acetylmethionine Dl-form [mi]

51. Ac-15650

52. N-acetyl-d,l-methionine [usp-rs]

53. Sy004613

54. Db-043072

55. Db-054845

56. Methionine Impurity C [ep Impurity]

57. A0100

58. Am20080062

59. Cs-0031301

60. Ft-0629811

61. Ft-0629838

62. Ft-0633619

63. N-acetyl-d,l-methionine [usp Impurity]

64. N-acetyl-dl-methionine, Reagentplus(r), 99%

65. W-108672

66. Q27256733

67. F2191-0246

68. N-acetyl-dl-methionine, Vetec(tm) Reagent Grade, 98%

69. N-acetyl-d,l-methionine, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃NO₃S
Molecular Weight	191.25 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	191.06161445 g/mol
Monoisotopic Mass	191.06161445 g/mol
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1