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Chemistry

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Also known as: 4-cyclohexylpyrrolidine-2-carboxylic acid, 9002-01-1, 1219214-76-2, 4-cyclohexyl-pyrrolidine-2-carboxylic acid, Streptokinase from streptococcus hemo-lyticus, Mfcd08061929

Molecular Formula

C₁₁H₁₉NO₂

Molecular Weight

197.27 g/mol

InChI Key

XRZWVSXEDRYQGC-UHFFFAOYSA-N

1 2D Structure

Streptokinase

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-cyclohexylpyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)

2.1.3 InChI Key

XRZWVSXEDRYQGC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(CC1)C2CC(NC2)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4-cyclohexylpyrrolidine-2-carboxylic Acid

2. 9002-01-1

3. 1219214-76-2

4. 4-cyclohexyl-pyrrolidine-2-carboxylic Acid

5. Streptokinase From Streptococcus Hemo-lyticus

6. Mfcd08061929

7. 4-cyclohexylproline

8. Schembl197230

9. Dtxsid00864144

10. Act14087

11. Bcp13492

12. Akos015962191

13. Sb30285

14. Sb31900

15. 4-cyclohexylpyrrolidine-2-carboxylicacid

16. Ac-13801

17. Sy030455

18. Db-040425

19. Ft-0601991

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉NO₂
Molecular Weight	197.27 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	197.141578849 g/mol
Monoisotopic Mass	197.141578849 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1