Home Carboxys 3-({[(tert-butoxy)carbonyl]amino}methyl)thiophene-2-carboxylic acid

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

CAS No.:
195322-23-7
Catalog Number:
AG01EL0W
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
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Product Description
Catalog Number:
AG01EL0W
Chemical Name:
3-({[(tert-butoxy)carbonyl]amino}methyl)thiophene-2-carboxylic acid
CAS Number:
195322-23-7
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD22417336
IUPAC Name:
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-6-7-4-5-17-8(7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14)
InChI Key:
HUNZSAIVASHXFV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccsc1C(=O)O
Properties
Complexity:
300  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties