CAS 70138-72-6

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BUILDING BLOCK

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1 End Use APIs
7 Related Intermediates

Chemistry

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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

CAS 70138-72-6

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 Formula	C₁₀H₁₈N₂O₃
Molecular Weight	214.26 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	214.13174244 g/mol
Monoisotopic Mass	214.13174244 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	270
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