Home Other Building Blocks 2-(Thiophene-2-carboxamido)acetic acid

2-(Thiophene-2-carboxamido)acetic acid

CAS No.:
33955-17-8
Catalog Number:
AG003CQ5
Molecular Formula:
C7H7NO3S
Molecular Weight:
185.2004
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Product Description
Catalog Number:
AG003CQ5
Chemical Name:
2-(Thiophene-2-carboxamido)acetic acid
CAS Number:
33955-17-8
Molecular Formula:
C7H7NO3S
Molecular Weight:
185.2004
MDL Number:
MFCD00761597
IUPAC Name:
2-(thiophene-2-carbonylamino)acetic acid
InChI:
InChI=1S/C7H7NO3S/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChI Key:
NXTJGIBOVGESBV-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1cccs1
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.197g/mol
Monoisotopic Mass:
185.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). Bioorganic & medicinal chemistry 20081201
Properties