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Home Other Building Blocks Phenyl-pyrrolidin-1-yl-acetic acid

Phenyl-pyrrolidin-1-yl-acetic acid

CAS No.:
100390-48-5
Catalog Number:
AG0001VJ
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$144
- +
1g
96%
In Stock USA
United States
$307
- +
5g
96%
In Stock USA
United States
$907
- +
10g
96%
In Stock USA
United States
$1650
- +
25g
96%
In Stock USA
United States
$2375
- +
Product Description
Catalog Number:
AG0001VJ
Chemical Name:
Phenyl-pyrrolidin-1-yl-acetic acid
CAS Number:
100390-48-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00100664
IUPAC Name:
2-phenyl-2-pyrrolidin-1-ylacetic acid
InChI:
InChI=1S/C12H15NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)
InChI Key:
HYOZIYFGQLGJFY-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)N1CCCC1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties