Home Sulfos 4-carbamoyl-2-(3,4-dimethylbenzenesulfonamido)butanoic acid

4-carbamoyl-2-(3,4-dimethylbenzenesulfonamido)butanoic acid

CAS No.:
1009228-47-0
Catalog Number:
AG019JR9
Molecular Formula:
C13H18N2O5S
Molecular Weight:
314.3574
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Product Description
Catalog Number:
AG019JR9
Chemical Name:
4-carbamoyl-2-(3,4-dimethylbenzenesulfonamido)butanoic acid
CAS Number:
1009228-47-0
Molecular Formula:
C13H18N2O5S
Molecular Weight:
314.3574
MDL Number:
MFCD05267035
IUPAC Name:
5-amino-2-[(3,4-dimethylphenyl)sulfonylamino]-5-oxopentanoic acid
InChI:
InChI=1S/C13H18N2O5S/c1-8-3-4-10(7-9(8)2)21(19,20)15-11(13(17)18)5-6-12(14)16/h3-4,7,11,15H,5-6H2,1-2H3,(H2,14,16)(H,17,18)
InChI Key:
NMXOUNKQTBTTJA-UHFFFAOYSA-N
SMILES:
NC(=O)CCC(C(=O)O)NS(=O)(=O)c1ccc(c(c1)C)C
Properties
Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.094g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
314.356g/mol
Monoisotopic Mass:
314.094g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties