CAS 10009-20-8

Chemistry

Chemistry

Also known as: 10009-20-8, H-lys(tfa)-oh, N6-trifluoroacetyl-l-lysine, N-6-trifluoroacetyl-l-lysine, L-lysine, n6-(trifluoroacetyl)-, N6-trifluoroaccety-l-lysine

Molecular Formula

C₈H₁₃F₃N₂O₃

Molecular Weight

242.20 g/mol

InChI Key

PZZHRSVBHRVIMI-YFKPBYRVSA-N

1 2D Structure

CAS 10009-20-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid

2.1.2 InChI

InChI=1S/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1

2.1.3 InChI Key

PZZHRSVBHRVIMI-YFKPBYRVSA-N

2.1.4 Canonical SMILES

C(CCNC(=O)C(F)(F)F)CC(C(=O)O)N

2.1.5 Isomeric SMILES

C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. N-epsilon-trifluoro-lysine

2. N-epsilon-trifluoroacetyl-l-lysine

3. Tfa-lysine

2.2.2 Depositor-Supplied Synonyms

1. 10009-20-8

2. H-lys(tfa)-oh

3. N6-trifluoroacetyl-l-lysine

4. N-6-trifluoroacetyl-l-lysine

5. L-lysine, N6-(trifluoroacetyl)-

6. N6-trifluoroaccety-l-lysine

7. N(6)-trifluoroacetyl-l-lysine

8. (2s)-2-amino-6-[(2,2,2-trifluoroacetyl)amino]hexanoic Acid

9. Chebi:61064

10. N(6)-(trifluoroacetyl)-l-lysine

11. (s)-2-amino-6-(2,2,2-trifluoroacetamido)hexanoic Acid

12. Nepsilon-trifluoroacetyl-l-lysine

13. Mfcd00037223

14. Tfack

15. Epsilon-tfa-lysine

16. Lysine, N6-(trifluoroacetyl)-, L-

17. Trifluoroacetyl Lysine

18. H-l-lys(tfa)-oh

19. L-lysine, N6-(2,2,2-trifluoroacetyl)-

20. Epitope Id:150923

21. Schembl875166

22. N-

23. A-trifluoroacetyl-l-lysine

24. Dtxsid70142926

25. N-epsilon-trifluoroacetyl-l-lysine

26. N~6~-(trifluoroacetyl)-l-lysine

27. Glxc-25643

28. Nepsilon -trifluoroacetyl-l-lysine

29. Act07152

30. Zinc2384794

31. Akos015920404

32. Akos015924094

33. Ac-6228

34. Am81963

35. Cs-w012780

36. Hy-w012064

37. N6-(2,2,2-trifluoroacetyl)-l-lysine

38. As-12921

39. T2815

40. F10520

41. (s)-6-trifluoroacetylamino-2-aminohexanoic Acid

42. 009h208

43. J-502413

44. Nepsilon-trifluoroacetyl-l-lysine, >=96.0% (tlc)

45. Q27130601

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₃F₃N₂O₃
Molecular Weight	242.20 g/mol
XLogP3	-1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	242.08782677 g/mol
Monoisotopic Mass	242.08782677 g/mol
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	255
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	1

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