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

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

CAS No.:
96449-89-7
Catalog Number:
AG00IJTA
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$63
- +
1g
96%
In Stock USA
United States
$100
- +
5g
96%
In Stock USA
United States
$300
- +
10g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00IJTA
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
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO4/c1-18-11-4-2-9(3-5-11)7-14-8-10(13(16)17)6-12(14)15/h2-5,10H,6-8H2,1H3,(H,16,17)
InChI Key:
GQWNIXGHJLCLCG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CC(CC1=O)C(=O)O
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
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