L-Tyrosine Ethyl Ester Hydrochloride

Synopsis, Chemistry

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Also known as: 4089-07-0, H-tyr-oet.hcl, Ethyl l-tyrosinate hydrochloride, L-tyrosine ethyl ester hcl, (s)-ethyl 2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride, Tyrosine ethyl ester hydrochloride

Molecular Formula

C₁₁H₁₆ClNO₃

Molecular Weight

245.70 g/mol

InChI Key

BQULAXAVRFIAHN-PPHPATTJSA-N

FDA UNII

FAP58DAZ1E

1 2D Structure

L-Tyrosine Ethyl Ester Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride

2.1.2 InChI

InChI=1S/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H/t10-;/m0./s1

2.1.3 InChI Key

BQULAXAVRFIAHN-PPHPATTJSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

FAP58DAZ1E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4089-07-0

2. H-tyr-oet.hcl

3. Ethyl L-tyrosinate Hydrochloride

4. L-tyrosine Ethyl Ester Hcl

5. (s)-ethyl 2-amino-3-(4-hydroxyphenyl)propanoate Hydrochloride

6. Tyrosine Ethyl Ester Hydrochloride

7. Tyrosine, Ethyl Ester, Hydrochloride

8. Tyrosine Ethyl Ester Hcl

9. Fap58daz1e

10. L-tyrosine, Ethyl Ester, Hydrochloride

11. Tyrosine, Ethyl Ester, Hydrochloride, L-

12. Ethyl (2s)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride

13. L-tyrosine Ethylester Monohydrochloride

14. Mfcd00063047

15. 77037-38-8

16. L-tyrosine Ethylester Monohydrochloride (jan)

17. L-tyrosine Ethylester Monohydrochloride [jan]

18. Unii-fap58daz1e

19. Ethyl Tyrosinate Hydrochloride

20. Nsc-17141

21. Einecs 223-820-2

22. H-tyr-oet. Hcl

23. Tyrosine, L-, Ethyl Ester, Hydrochloride

24. Schembl595119

25. Chembl2107700

26. L-tyrosine Ethylester Hydrochloride

27. Act08083

28. Ethyl (2s)-2-amino-3-(4-hydroxyphenyl)propanoate Hydrochloride

29. L-tryosine Ethyl Ester Hydrochloride

30. Nsc 17141

31. (s)-tyrosine Ethyl Ester Hydrochloride

32. Akos015845149

33. Akos015889940

34. Am82317

35. Cs-w012709

36. Hy-w011993

37. L-tyrosine Ethyl Ester Monohydrochloride

38. As-17344

39. T0982

40. D09821

41. F14570

42. L - Tyrosine Ethylester Monohydrochloride

43. A822066

44. (s)-(-)-tyrosine Ethyl Ester Hydrochloride

45. J-300286

46. Q-101741

47. L-tyrosine, Ethyl Ester, Hydrochloride (1:1)

48. Q27277893

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆ClNO₃
Molecular Weight	245.70 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	245.0818711 g/mol
Monoisotopic Mass	245.0818711 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	200
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