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100390-48-5,MFCD00100664
Catalog No.:AA0001SR

100390-48-5 | Phenyl-pyrrolidin-1-yl-acetic acid

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Purity
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Price(USD)
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250mg
98%
in stock  
$28.00   $20.00
- +
1g
98%
in stock  
$73.00   $51.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0001SR
Chemical Name:
Phenyl-pyrrolidin-1-yl-acetic acid
CAS Number:
100390-48-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00100664
SMILES:
OC(=O)C(c1ccccc1)N1CCCC1
Properties
Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.2  

Downstream Synthesis Route

[1]TetrahedronLetters,2005,vol.46,p.2025-2028

[1]TetrahedronLetters,2005,vol.46,p.2025-2028

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
Tags:100390-48-5 Molecular Formula|100390-48-5 MDL|100390-48-5 SMILES|100390-48-5 Phenyl-pyrrolidin-1-yl-acetic acid