Home Carboxys 5-{[(tert-butoxy)carbonyl](methyl)amino}thiophene-2-carboxylic acid

5-{[(tert-butoxy)carbonyl](methyl)amino}thiophene-2-carboxylic acid

CAS No.:
131052-68-1
Catalog Number:
AG01B95B
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
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Product Description
Catalog Number:
AG01B95B
Chemical Name:
5-{[(tert-butoxy)carbonyl](methyl)amino}thiophene-2-carboxylic acid
CAS Number:
131052-68-1
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD24466638
IUPAC Name:
5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12(4)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14)
InChI Key:
VJWRWJGBMRLBDV-UHFFFAOYSA-N
SMILES:
CN(c1ccc(s1)C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties