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2D Structure
Also known as: 70138-72-6, Boc-d-proline amide, D-n-boc-prolinamide, 1-boc-d-prolinamide, (r)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate, Tert-butyl (2r)-2-carbamoylpyrrolidine-1-carboxylate
Molecular Formula
C10H18N2O3
Molecular Weight
214.26  g/mol
InChI Key
PITJAAIPVBVRAO-SSDOTTSWSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate
2.1.2 InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m1/s1
2.1.3 InChI Key
PITJAAIPVBVRAO-SSDOTTSWSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)N
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 70138-72-6

2. Boc-d-proline Amide

3. D-n-boc-prolinamide

4. 1-boc-d-prolinamide

5. (r)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate

6. Tert-butyl (2r)-2-carbamoylpyrrolidine-1-carboxylate

7. (r)-2-carbamoyl-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

8. L-1-n-boc-prolidinamide

9. Mfcd03419274

10. Boc-d-prolinamide

11. N-tboc-d-prolinamide

12. N-boc-d-prolinamide

13. Schembl2225858

14. Act03202

15. Amy25326

16. Vca13872

17. Zinc2556560

18. Akos015841241

19. Akos015894508

20. Ac-23800

21. As-45734

22. A6174

23. A9265

24. C2418

25. Cs-0031473

26. N-alpha-tert-butyloxycarbonyl-d-proline Amide

27. 50b073

28. B56854

29. A866669

30. Q-102176

31. Q-102901

32. 2-(aminocarbonyl)-1-pyrrolidinecarboxylic Acid 1,1-dimethylethyl Ester

33. Tert-butyl (r)-2-carbamoylpyrrolidine-1-carboxylate;(r)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 214.26 g/mol
Molecular Formula C10H18N2O3
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass214.13174244 g/mol
Monoisotopic Mass214.13174244 g/mol
Topological Polar Surface Area72.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1