Vitalpharms

CAS 1416134-49-0

Chemistry, 1 End Use API, 6 Related Intermediates

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Also known as: 1416134-49-0, Avibactam impurity 3, (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxamide, (2s,5r)-5-[(phenylmethoxy)amino]-2-piperidinecarboxamide, (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxamide, Trans-5-((benzyloxy)amino)piperidine-2-carboxamide

Molecular Formula

C₁₃H₁₉N₃O₂

Molecular Weight

249.31 g/mol

InChI Key

OWIVQKMLPQEEGV-NEPJUHHUSA-N

1 2D Structure

CAS 1416134-49-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide

2.1.2 InChI

InChI=1S/C13H19N3O2/c14-13(17)12-7-6-11(8-15-12)16-18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2,(H2,14,17)/t11-,12+/m1/s1

2.1.3 InChI Key

OWIVQKMLPQEEGV-NEPJUHHUSA-N

2.1.4 Canonical SMILES

C1CC(NCC1NOCC2=CC=CC=C2)C(=O)N

2.1.5 Isomeric SMILES

C1C[C@H](NC[C@@H]1NOCC2=CC=CC=C2)C(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1416134-49-0

2. Avibactam Impurity 3

3. (2s,5r)-5-[(benzyloxy)amino]piperidine-2-carboxamide

4. (2s,5r)-5-[(phenylmethoxy)amino]-2-piperidinecarboxamide

5. (2s,5r)-5-(phenylmethoxyamino)piperidine-2-carboxamide

6. Trans-5-((benzyloxy)amino)piperidine-2-carboxamide

7. Schembl14244023

8. Dtxsid801199513

9. Amy30655

10. Cs-m3243

11. Mfcd29472345

12. Zinc144183797

13. Ac-29297

14. Cs-13237

15. F20854

16. Trans-5-(benzyloxyamino)piperidine-2-carboxamide

17. A885649

18. (2s,5r)-5-(benzyloxyamino)-piperidine-2-carboxylic Acid Amide

2.3 Create Date

2013-06-10

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₉N₃O₂
Molecular Weight	249.31 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	249.147726857 g/mol
Monoisotopic Mass	249.147726857 g/mol
Topological Polar Surface Area	76.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	267
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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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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