Home Other Building Blocks 3-methyl-2-(thiophen-2-ylformamido)butanoic acid

3-methyl-2-(thiophen-2-ylformamido)butanoic acid

CAS No.:
854007-21-9
Catalog Number:
AG019O7J
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
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Product Description
Catalog Number:
AG019O7J
Chemical Name:
3-methyl-2-(thiophen-2-ylformamido)butanoic acid
CAS Number:
854007-21-9
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD03447404
IUPAC Name:
3-methyl-2-(thiophene-2-carbonylamino)butanoic acid
InChI:
InChI=1S/C10H13NO3S/c1-6(2)8(10(13)14)11-9(12)7-4-3-5-15-7/h3-6,8H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
RXZNSDOUKYEHDZ-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NC(=O)c1cccs1)C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties