Home Sulfos 1-{4-[(methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid

1-{4-[(methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid

CAS No.:
1008946-47-1
Catalog Number:
AG019IMU
Molecular Formula:
C13H16N2O6S
Molecular Weight:
328.3409
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Product Description
Catalog Number:
AG019IMU
Chemical Name:
1-{4-[(methoxycarbonyl)amino]benzenesulfonyl}pyrrolidine-2-carboxylic acid
CAS Number:
1008946-47-1
Molecular Formula:
C13H16N2O6S
Molecular Weight:
328.3409
MDL Number:
MFCD06255097
IUPAC Name:
1-[4-(methoxycarbonylamino)phenyl]sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H16N2O6S/c1-21-13(18)14-9-4-6-10(7-5-9)22(19,20)15-8-2-3-11(15)12(16)17/h4-7,11H,2-3,8H2,1H3,(H,14,18)(H,16,17)
InChI Key:
IZXNCTIKDNVKDB-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)O
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.073g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
328.339g/mol
Monoisotopic Mass:
328.073g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties