CAS 1428243-24-6

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37 Related Intermediates

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Also known as: 1428243-24-6, (3r,4s)-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic acid, (3r,4s)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid, Dtxsid501140955, Dtxcid201572575, 820-324-3

Molecular Formula

C₁₅H₁₉NO₄

Molecular Weight

277.31 g/mol

InChI Key

LKPALAXKZXXURJ-OLZOCXBDSA-N

FDA UNII

9RCJ43G3K5

1 2D Structure

CAS 1428243-24-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

2.1.2 InChI

InChI=1S/C15H19NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,17,18)/t12-,13+/m1/s1

2.1.3 InChI Key

LKPALAXKZXXURJ-OLZOCXBDSA-N

2.2 Other Identifiers

2.2.1 UNII

9RCJ43G3K5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1428243-24-6

2. (3r,4s)-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic Acid

3. (3r,4s)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid

4. Dtxsid501140955

5. Dtxcid201572575

6. 820-324-3

7. 1428243-23-5

8. Rel-(3r,4s)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid

9. Cis-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylicacid

10. (3r,4s)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic Acid

11. Cis-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylic Acid

12. Mfcd30802575

13. Mfcd30861467

14. (3r,4s)-1-cbz-4-ethylpyrrolidine-3-carboxylic Acid

15. Ube83uc73a

16. 9rcj43g3k5

17. Schembl14778856

18. Akos037646945

19. As-71633

20. Db-200233

21. Cs-0056830

22. Cis-1-cbz-4-ethylpyrrolidine-3-carboxylicacid

23. E83425

24. W19674

25. (3r,4s)-1-((benzyloxy)carbonyl)-4-ethylpyrrolidine-3-carboxylate

26. 1-(phenylmethyl) (3r,4s)-4-ethyl-1,3-pyrrolidinedicarboxylate

27. Rel-1-(phenylmethyl) (3r,4s)-4-ethyl-1,3-pyrrolidinedicarboxylate

28. 1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid, (3r,4s)-

29. Rac-(3r,4s)-1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid

30. 1,3-pyrrolidinedicarboxylic Acid, 4-ethyl-, 1-(phenylmethyl) Ester, (3r,4s)-rel-

31. 1-[(benzyloxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic Acid, (3r,4s)-rel-

2.4 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉NO₄
Molecular Weight	277.31 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	66.8
Heavy Atom Count	20
Formal Charge	0
Complexity	352
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1