CAS 1129634-44-1

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2 Suppliers, 2 End Use APIs, 18 Related Intermediates

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2 End Use APIs
18 Related Intermediates

Chemistry

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Also known as: 1129634-44-1, (s)-5-boc-5-azaspiro[2.4]heptane-6-carboxylic acid, (6s)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid, (6s)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid, (6s)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid, (5s)-6-tert-butoxycarbonyl-6-azaspiro[2.4]heptane-5-carboxylic acid

Molecular Formula

C₁₂H₁₉NO₄

Molecular Weight

241.28 g/mol

InChI Key

VEIYKHIPSJIVRK-QMMMGPOBSA-N

1 2D Structure

CAS 1129634-44-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid

2.1.2 InChI

InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1

2.1.3 InChI Key

VEIYKHIPSJIVRK-QMMMGPOBSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CC2(CC2)CC1C(=O)O

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1129634-44-1

2. (s)-5-boc-5-azaspiro[2.4]heptane-6-carboxylic Acid

3. (6s)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic Acid

4. (6s)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic Acid

5. (6s)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic Acid

6. (5s)-6-tert-butoxycarbonyl-6-azaspiro[2.4]heptane-5-carboxylic Acid

7. Mfcd11099673

8. (s)-5-(tert-butoxycarbonyl)-5-azaspiro(2.4)heptane-6-carboxylic Acid

9. (6r)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic Acid

10. Schembl193274

11. 5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic Acid

12. Amy4209

13. Dtxsid40653857

14. Cs-m2570

15. Zinc32628536

16. Akos010366500

17. 5-azaspiro[2.4]heptane-5,6-dicarboxylic Acid, 5-(1,1-dimethylethyl) Ester, (6s)-

18. Ac-28381

19. Ds-16827

20. En300-39139

21. (6s)-5-boc-5-azaspiro[2.4]heptane-6-carboxylic Acid

22. (s)-5 -(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic Acid

23. (s)-5-(tert-butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylicacid

24. 6-azaspiro[2.4]heptane-5beta,6-dicarboxylic Acid 6-tert-butyl Ester

2.3 Create Date

2009-05-29

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉NO₄
Molecular Weight	241.28 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	241.13140809 g/mol
Monoisotopic Mass	241.13140809 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	354
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