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Also known as: 134795-25-8, 291775-59-2, 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid, (1r,3s,4s)-n-boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid, (3s)-n-boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid, (1s,3r,4r)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Molecular Formula
C12H19NO4
Molecular Weight
241.28  g/mol
InChI Key
IFAMSTPTNRJBRG-UHFFFAOYSA-N

CAS 134795-25-8
1 2D Structure

CAS 134795-25-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
2.1.2 InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8-5-4-7(6-8)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
2.1.3 InChI Key
IFAMSTPTNRJBRG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 134795-25-8

2. 291775-59-2

3. 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

4. (1r,3s,4s)-n-boc-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

5. (3s)-n-boc-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

6. (1s,3r,4r)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

7. 869682-22-4

8. Schembl203763

9. (1s,3r,4s)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

10. Racemic-(3s)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

11. Bcp26040

12. 2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylicacid

13. Mfcd17926552

14. Ab86149

15. Sb15907

16. Sb15908

17. Am803168

18. As-41719

19. Db-063042

20. Cs-0135331

21. Ft-0709571

22. Ft-0773795

23. J-017424

24. 2-(t-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

25. 2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

26. 2-aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic Acid 2-tert-butyl Ester

27. 2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic Acid 2-tert-butyl Ester

28. (1r,3s,4s)-2-(tert-butoxycarbonyl)-2-aza-bicyclo[2.2.1]heptane-3-carboxylic Acid

29. (1r,3s,4s)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid

30. 2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic Acid, 2-(1,1-dimethylethyl) Ester, (1s,3s,4r)-

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 241.28 g/mol
Molecular Formula C12H19NO4
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass241.13140809 g/mol
Monoisotopic Mass241.13140809 g/mol
Topological Polar Surface Area66.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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