MolPort-001-792-019

Synopsis, Chemistry

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Also known as: 348-67-4, H-d-met-oh, (r)-methionine, Methionine, D-methionin, D-metionien

Molecular Formula

C₅H₁₁NO₂S

Molecular Weight

149.21 g/mol

InChI Key

FFEARJCKVFRZRR-SCSAIBSYSA-N

FDA UNII

868496F25R

A sulfur-containing essential L-amino acid that is important in many body functions.

1 2D Structure

MolPort-001-792-019

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-amino-4-methylsulfanylbutanoic acid

2.1.2 InChI

InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1

2.1.3 InChI Key

FFEARJCKVFRZRR-SCSAIBSYSA-N

2.1.4 Canonical SMILES

CSCCC(C(=O)O)N

2.1.5 Isomeric SMILES

CSCC[C@H](C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

868496F25R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. L-isomer Methionine

2. L-methionine

3. Liquimeth

4. Methionine

5. Methionine, L Isomer

6. Methionine, L-isomer

7. Pedameth

2.3.2 Depositor-Supplied Synonyms

1. 348-67-4

2. H-d-met-oh

3. (r)-methionine

4. Methionine

5. D-methionin

6. D-metionien

7. Methionine, D-

8. (r)-2-amino-4-(methylthio)butanoic Acid

9. Mrx-1024

10. Methionine D-form

11. (2r)-2-amino-4-methylsulfanylbutanoic Acid

12. (2r)-2-amino-4-(methylsulfanyl)butanoic Acid

13. R-methionine

14. Chebi:16867

15. D-2-amino-4-(methylthio)butyric Acid

16. Chembl1234268

17. Med

18. 868496f25r

19. D-2-amino-4-(methylthio)butanoic Acid

20. Mfcd00002622

21. Methionine D-

22. (r)-2-amino-4-(methylmercapto)butyric Acid

23. D-metionien [australian]

24. Nsc-45689

25. L-methionine;

26. Unii-868496f25r

27. D-met

28. Einecs 206-483-6

29. Nsc 45689

30. D-met-oh

31. Bmse000450

32. D-methionine;mrx-1024

33. Schembl126688

34. S-methyl-d-homocysteine

35. Methionine D-form [mi]

36. Dtxsid90883369

37. D-methionine, >=98% (hplc)

38. Act04819

39. Zinc1532766

40. Bdbm50463194

41. S4494

42. Akos015852500

43. Ac-8661

44. Am81977

45. Cs-7880

46. Db02893

47. Ncgc00163337-01

48. Ac-12369

49. Ds-15125

50. Hy-13694

51. (r)-2-amino-4-methylsulfanyl-butyric Acid

52. D-methionine, Puriss., >=99.0% (nt)

53. Db-038140

54. M0102

55. C00855

56. 348m674

57. A822453

58. J-300192

59. Q-101531

60. Q27093862

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₁NO₂S
Molecular Weight	149.21 g/mol
XLogP3	-1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	149.05104977 g/mol
Monoisotopic Mass	149.05104977 g/mol
Topological Polar Surface Area	88.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97
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