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

1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
63674-65-7
Catalog Number:
AG00IB95
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$74
- +
5g
98%
In Stock USA
United States
$219
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00IB95
Chemical Name:
1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
63674-65-7
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD01002227
IUPAC Name:
1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-8-3-4-11(5-9(8)2)14-7-10(13(16)17)6-12(14)15/h3-5,10H,6-7H2,1-2H3,(H,16,17)
InChI Key:
FVLRNFDPKXYNTR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1)c1ccc(c(c1)C)C
Properties
Complexity:
329  
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:
2  
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