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Chemistry

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Also known as: 2018-61-3, Ac-phe-oh, Acetyl-l-phenylalanine, Acetylphenylalanine, N-acetylphenylalanine, L-phenylalanine, n-acetyl-
Molecular Formula
C11H13NO3
Molecular Weight
207.23  g/mol
InChI Key
CBQJSKKFNMDLON-JTQLQIEISA-N
FDA UNII
NP5BT39467

N-Acetyl-L-Phenylalanine
N-Acetyl-D-phenylalanine is a metabolite found in or produced by Saccharomyces cerevisiae.
1 2D Structure

N-Acetyl-L-Phenylalanine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-acetamido-3-phenylpropanoic acid
2.1.2 InChI
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
2.1.3 InChI Key
CBQJSKKFNMDLON-JTQLQIEISA-N
2.1.4 Canonical SMILES
CC(=O)NC(CC1=CC=CC=C1)C(=O)O
2.1.5 Isomeric SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
NP5BT39467
2.3 Synonyms
2.3.1 MeSH Synonyms

1. N-acetylphenylalanine

2. N-acetylphenylalanine, (d)-isomer

3. N-acetylphenylalanine, (d,l)-isomer, 3h-labeled

4. N-acetylphenylalanine, (l)-isomer

5. N-acetylphenylalanine, (l)-isomer, 3h-labeled

2.3.2 Depositor-Supplied Synonyms

1. 2018-61-3

2. Ac-phe-oh

3. Acetyl-l-phenylalanine

4. Acetylphenylalanine

5. N-acetylphenylalanine

6. L-phenylalanine, N-acetyl-

7. (s)-2-acetamido-3-phenylpropanoic Acid

8. L-n-acetylphenylalanine

9. (2s)-2-acetamido-3-phenylpropanoic Acid

10. Phenylalanine, N-acetyl-

11. N-acetyl-3-phenyl-l-alanine

12. Alanine, N-acetyl-3-phenyl-, L-

13. N-acetyl-l-phenalanine

14. Nsc 45699

15. Chebi:16259

16. Np5bt39467

17. Mfcd00063158

18. Unii-np5bt39467

19. Nsc-45699

20. N-ac-phenylalanine

21. 5cr

22. Einecs 217-959-8

23. N-ac-l-phe

24. N-acetyl Phenylalanine

25. N-acetyl-phenylalanine

26. N-acetyl-l-phenylalanin

27. N-acetyl L-phenylalanine

28. Maybridge1_002391

29. (2s)-2-(acetylamino)-3-phenylpropanoic Acid

30. Afalanine, (s)-

31. N-acetyl-(s)-phenylalanine

32. Chembl55743

33. Divk1c_001143

34. Schembl158613

35. Acetylphenylalanine, L-

36. Hms548e15

37. Dtxsid20883539

38. N-acetylphenylalanine, L-

39. (+)-n-acetylphenylalanine

40. Hms3264c06

41. Pharmakon1600-01506105

42. Zinc135391

43. Act07471

44. Hy-y0068

45. Ccg-46423

46. Nsc760131

47. S6362

48. (+)-n-acetyl-l-phenylalanine

49. Akos001051290

50. Akos015837745

51. Am82155

52. Cs-w020567

53. N-alpha-acetyl-dl-phenylalanine

54. Nsc-760131

55. Cds1_000103

56. Ncgc00264266-02

57. Ac-24138

58. Bp-12302

59. Ts-00391

60. (s)-2-acetylamino-3-phenyl-propionic Acid

61. C03519

62. M02987

63. Ab01209616-01

64. Ab01209616-04

65. Ab01209616_05

66. N-acetyl-l-phenylalanine, Reagentplus(r), 99%

67. 018a613

68. (s)-2-(acetylamino)-3-phenylpropanoic Acid

69. J-300205

70. Sr-01000636121-1

71. W-107639

72. Brd-k53205568-001-01-8

73. Q27101819

74. Z56968155

75. N-acetyl-l-phenylalanine, Vetec(tm) Reagent Grade, 98%

76. 545bbbe7-685f-4c55-87d5-4ab08113ece0

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 207.23 g/mol
Molecular Formula C11H13NO3
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass207.08954328 g/mol
Monoisotopic Mass207.08954328 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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15-Feb-2022
25-Sep-2024
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