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96449-89-7,MFCD03834522
Catalog No.:AA00IJQI

96449-89-7 | 1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid

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Purity
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250mg
1 week  
$212.00   $148.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IJQI
Chemical Name:
1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
96449-89-7
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD03834522
SMILES:
COc1ccc(cc1)CN1CC(CC1=O)C(=O)O
Properties
Computed Properties
 
Complexity:
323  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:NATIONALCENTERFORGERIATRICSANDGERONTOLOGY-EP3275440,2018,A1Locationinpatent:Paragraph0150;0151

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1180513,2002,A1Locationinpatent:Referentialexample49

[3]CurrentPatentAssignee:ASTELLASPHARMAINC.-WO2006/123725,2006,A1Locationinpatent:Page/Pagecolumn65

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:96449-89-7 Molecular Formula|96449-89-7 MDL|96449-89-7 SMILES|96449-89-7 1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid