5-Amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid

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Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

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Also known as: 85535-45-1, N2-boc-d-glutamine, (s)-5-amino-2-(tert-butoxycarbonylamino)-5-oxopentanoic acid, Mfcd00038158, Mfcd00065571, N.alpha.-tert-butoxycarbonyl-l-glutamine

Molecular Formula

C₁₀H₁₈N₂O₅

Molecular Weight

246.26 g/mol

InChI Key

VVNYDCGZZSTUBC-UHFFFAOYSA-N

1 2D Structure

5-Amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

2.1.2 InChI

InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)

2.1.3 InChI Key

VVNYDCGZZSTUBC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(CCC(=O)N)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 85535-45-1

2. N2-boc-d-glutamine

3. (s)-5-amino-2-(tert-butoxycarbonylamino)-5-oxopentanoic Acid

4. Mfcd00038158

5. Mfcd00065571

6. N.alpha.-tert-butoxycarbonyl-l-glutamine

7. Nsc334370

8. 2-{[(tert-butoxy)carbonyl]amino}-4-carbamoylbutanoic Acid

9. N-alpha-boc-l-glutamine

10. Noname_1307

11. Schembl1001711

12. Dtxsid80902098

13. 5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic Acid

14. N~2~-(tert-butoxycarbonyl)glutamine

15. Stk367903

16. 2-boc-amino-4-carbamoylbutanoic Acid

17. Glutamine, N2-tert-butyl Ester, L-

18. Akos000172709

19. Akos016608687

20. Ab01707

21. Ab02623

22. Nsc-334370

23. L-glutamine,1-dimethylethoxy)carbonyl]-

24. As-12735

25. Pd196834

26. Sy014706

27. Sy031244

28. N(.alpha.)-tert-butoxycarbonyl-l-glutamine

29. Ft-0629988

30. Ft-0629996

31. Ft-0649061

32. En300-84498

33. Bis(tetramethylcyclopentadienyl)zirconiumdichloride

34. Z316187284

35. 2-[(tert-butyloxycarbonyl)amino]-4-carbamoylbutanoic Acid

36. 5-amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoicacid

37. (s)-5-amino-2-(tert-butoxycarbonylamino)-5-oxopentanoicacid

38. (2s)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic Acid

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₈N₂O₅
Molecular Weight	246.26 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	119
Heavy Atom Count	17
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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