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Home Carboxys 1-(4-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
133748-26-2
Catalog Number:
AG009AVG
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$200
- +
5g
96%
In Stock USA
United States
$600
- +
10g
96%
In Stock USA
United States
$923
- +
Product Description
Catalog Number:
AG009AVG
Chemical Name:
1-(4-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
133748-26-2
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD00469851
IUPAC Name:
1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-2-9-3-5-11(6-4-9)14-8-10(13(16)17)7-12(14)15/h3-6,10H,2,7-8H2,1H3,(H,16,17)
InChI Key:
DFTUTKZCUVWXKB-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)N1CC(CC1=O)C(=O)O
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
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