Phenylalanine Methyl Ester Hydrochloride

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Also known as: 7524-50-7, L-phenylalanine methyl ester hydrochloride, H-phe-ome.hcl, L-phenylalanine methyl ester hcl, L-phenylalanine methyl ester, hcl, L-phenylalanine, methyl ester, hydrochloride

Molecular Formula

C₁₀H₁₄ClNO₂

Molecular Weight

215.67 g/mol

InChI Key

SWVMLNPDTIFDDY-FVGYRXGTSA-N

FDA UNII

47HK4Y94JA

1 2D Structure

Phenylalanine Methyl Ester Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride

2.1.2 InChI

InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1

2.1.3 InChI Key

SWVMLNPDTIFDDY-FVGYRXGTSA-N

2.1.4 Canonical SMILES

COC(=O)C(CC1=CC=CC=C1)N.Cl

2.1.5 Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N.Cl

2.2 Other Identifiers

2.2.1 UNII

47HK4Y94JA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 7524-50-7

2. L-phenylalanine Methyl Ester Hydrochloride

3. H-phe-ome.hcl

4. L-phenylalanine Methyl Ester Hcl

5. L-phenylalanine Methyl Ester, Hcl

6. L-phenylalanine, Methyl Ester, Hydrochloride

7. H-phe-ome.hydrochloride

8. 47hk4y94ja

9. Phenylalanine Methyl Ester Hydrochloride

10. (l)-phenylalanine Methyl Ester Hydrochloride

11. Mfcd00012489

12. Methyl (2s)-2-amino-3-phenylpropanoate Hydrochloride

13. Unii-47hk4y94ja

14. Methyl L-phenylalaninate Hcl

15. Methyl Phenylalaninate Hydrochloride

16. (s)-2-amino-3-phenyl-propionic Acid Methyl Ester Hydrochloride

17. Nsc-194642

18. Phenylalanine Hydrochloride Methyl Ester

19. L-phenylalanine Methylester Hydrochloride

20. Einecs 231-383-4

21. Phe-ome.hcl

22. (s)-phenylalanine Methyl Ester Hydrochloride

23. H-phe-ome?cl

24. L-phe-ome-hcl

25. L-phe-ome.hcl

26. Phe-ome Hydrochloride

27. H-phe-ome. Hcl

28. Schembl136409

29. H-phe-ome Hydrochloride

30. (2s)-2-amino-3-phenylpropionic Acid Methyl Ester Hydrochloride

31. Chembl1221959

32. Dtxsid00948635

33. Act08772

34. Bcp12913

35. Hy-y1394

36. Phenylalanine Methylester Hydrochloride

37. Akos015845884

38. Ac-5501

39. Cs-w019793

40. Nsc 194642

41. L-phenylalanine-methylester Hydrochloride

42. As-12761

43. Bp-21040

44. Phenylalanine Methylester Hydrochloride Salt

45. Am20060722

46. P1278

47. Phenylalanine Methyl Ester Hydrochloride Salt

48. (+/-)-phenylalanine Methyl Ester Hydrochloride

49. L-(+)-phenylalanine Methyl Ester Hydrochloride

50. Methyl (s)-phenylalaninate Hydrochloride

51. P-3510

52. L-phenylalanine Methyl Ester Hydrochloride, 98%

53. Methyl Phenylalaninate--hydrogen Chloride (1/1)

54. 524p507

55. A838360

56. J-300215

57. J-520418

58. Methyl (2s)-2-amino-3-phenylpropanoate;hydrochloride

59. Methyl L-phenylalaninate Hydrochloride, (+)-

60. Q27259058

61. L-phenylalanine, Methyl Ester, Hydrochloride (1:1)

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄ClNO₂
Molecular Weight	215.67 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	215.0713064 g/mol
Monoisotopic Mass	215.0713064 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	164
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	2