6404-31-5

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CHEMISTRY

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Chemistry

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Also known as: 6404-31-5, Z-d-pro-oh, (+)-z-d-proline, (r)-n-benzyloxycarbonylproline, Z-d-proline, N-carbobenzoxy-d-proline

Molecular Formula

C₁₃H₁₅NO₄

Molecular Weight

249.26 g/mol

InChI Key

JXGVXCZADZNAMJ-LLVKDONJSA-N

1 2D Structure

6404-31-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m1/s1

2.1.3 InChI Key

JXGVXCZADZNAMJ-LLVKDONJSA-N

2.1.4 Canonical SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

2.1.5 Isomeric SMILES

C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6404-31-5

2. Z-d-pro-oh

3. (+)-z-d-proline

4. (r)-n-benzyloxycarbonylproline

5. Z-d-proline

6. N-carbobenzoxy-d-proline

7. N-cbz-d-proline

8. (2r)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic Acid

9. ((benzyloxy)carbonyl)-d-proline

10. (2r)-1-[(benzyloxy)carbonyl]pyrrolidine-2-carboxylic Acid

11. Mfcd00063228

12. Benzyloxycarbonyl-d-proline

13. (r)-1-((benzyloxy)carbonyl)pyrrolidine-2-carboxylic Acid

14. 1-benzyl Hydrogen (r)-pyrrolidine-1,2-dicarboxylate

15. (r)-1-(benzyloxycarbonyl)pyrrolidine-2-carboxylic Acid

16. 1-[(benzyloxy)carbonyl]-d-proline

17. Einecs 229-021-5

18. Cbz-d-proline

19. N-benzyloxycarbonyi-d-proline

20. Schembl475715

21. (+)-z-d-proline, 98%

22. (2r)-n-benzyloxycarbonylproline

23. N-(benzyloxycarbonyl)-d-proline

24. Dtxsid60214085

25. Jxgvxczadznamj-llvkdonjsa-n

26. Cs-m0865

27. (+)-carbobenzyloxy-d-proline

28. Akos015924248

29. Ccg-247547

30. (+)-n-carbobenzyloxy-d-proline

31. Ac-24082

32. As-12748

33. Sy020327

34. Am20050504

35. C1730

36. En300-121303

37. M03041

38. (2r)-1-benzyloxycarbonylpyrrolidine-2-carboxylate

39. A834624

40. J-300225

41. Q-101839

42. (r)-pyrrolidine-1,2-dicarboxylic Acid 1-benzyl Ester

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅NO₄
Molecular Weight	249.26 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.8
Heavy Atom Count	18
Formal Charge	0
Complexity	312
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