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Technical details about 5-Amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

2D Structure

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 Weight 246.26 g/mol
Molecular Formula C10H18N2O5
XLogP3-0.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area119
Heavy Atom Count17
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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