Home Carboxys 1-(4-methylphenyl)-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid

1-(4-methylphenyl)-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid

CAS No.:
855715-09-2
Catalog Number:
AG00IDPD
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IDPD
Chemical Name:
1-(4-methylphenyl)-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid
CAS Number:
855715-09-2
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
MDL Number:
MFCD06655059
IUPAC Name:
1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C16H15NO3S/c1-10-4-6-11(7-5-10)17-14(18)9-12(16(19)20)15(17)13-3-2-8-21-13/h2-8,12,15H,9H2,1H3,(H,19,20)
InChI Key:
PRTGINCKDPPNSZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1c1cccs1)c1ccc(cc1)C
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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