Vitalpharms

Also known as: 1174020-25-7, (1r,2s,5r)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid, (2s,5r)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid, 396731-12-7, Schembl1980962, Schembl16611440

Molecular Formula

C₁₄H₁₆N₂O₄

Molecular Weight

276.29 g/mol

InChI Key

UMHGLONVYIYIOU-NEPJUHHUSA-N

1 2D Structure

CAS 1174020-25-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid

2.1.2 InChI

InChI=1S/C14H16N2O4/c17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12+/m1/s1

2.1.3 InChI Key

UMHGLONVYIYIOU-NEPJUHHUSA-N

2.1.4 Canonical SMILES

C1CC(N2CC1N(C2=O)OCC3=CC=CC=C3)C(=O)O

2.1.5 Isomeric SMILES

C1C[C@H](N2C[C@@H]1N(C2=O)OCC3=CC=CC=C3)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1174020-25-7

2. (1r,2s,5r)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic Acid

3. (2s,5r)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic Acid

4. 396731-12-7

5. Schembl1980962

6. Schembl16611440

7. Ex-a2293d

8. Cs-m3718

9. Zwb02025

10. Mfcd28502389

11. Zinc98192874

12. Akos030628494

13. As-52864

14. J3.659.874c

15. H11173

16. P15813

17. (2s, 5r)-6-benzyloxy-7-oxo-1, 6-diaza-bicyclo [3.2.1] Octane-2-carboxylic Acid

18. (2s,5r)-6-(benzyloxy)-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2-carboxylic Acid

19. (2s,5r)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2alpha-carboxylic Acid

20. (2s,5r)-6-(phenylmethoxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic Acid

21. 1,6-diazabicyclo[3.2.1]octane-2-carboxylic Acid, 7-oxo-6-(phenylmethoxy)-, (1r,2s,5r)-

22. Rel-(1r,2s,5r)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic Acid

23. Rel-(1r,2s,5r)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylicacid

24. Trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic Acid;(2s,5r)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic Acid

2.3 Create Date

2012-07-23

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆N₂O₄
Molecular Weight	276.29 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	276.11100700 g/mol
Monoisotopic Mass	276.11100700 g/mol
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	395
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

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(2S, 5R) -benzyloxyaminopiperidine-2 -carboxylic acid e...

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CAS Number

1416134-48-9

End Use API

Avibactam

About the Company

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and dis...

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and distributing of API and intermediates of generics all over the world. The intelligent and professional management and executive team have its expertise into pharmaceutical industries for many years. With the continuous approval of GSP certification, Vitalpharms has been the qualified vendor for the majority of TOP100 pharmaceutical companies in China. Over the past almost 20 years, Vitalpharms has carved a niche for itself in providing value added into import, export, marketing, distributing and project management services.

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(2S,5R)-5-[(benzyloxy)amino]piperidine-2 -carboxamide

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CAS Number

1416134-49-0

End Use API

Avibactam

About the Company

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and dis...

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and distributing of API and intermediates of generics all over the world. The intelligent and professional management and executive team have its expertise into pharmaceutical industries for many years. With the continuous approval of GSP certification, Vitalpharms has been the qualified vendor for the majority of TOP100 pharmaceutical companies in China. Over the past almost 20 years, Vitalpharms has carved a niche for itself in providing value added into import, export, marketing, distributing and project management services.

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Vitalpharms

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7-oxo-6-benzyloxy-1,6-diazabicylco-[3.2.1 ]octane-2-car...

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CAS Number

1192651-49-2

End Use API

Avibactam

About the Company

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and dis...

Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and distributing of API and intermediates of generics all over the world. The intelligent and professional management and executive team have its expertise into pharmaceutical industries for many years. With the continuous approval of GSP certification, Vitalpharms has been the qualified vendor for the majority of TOP100 pharmaceutical companies in China. Over the past almost 20 years, Vitalpharms has carved a niche for itself in providing value added into import, export, marketing, distributing and project management services.

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