Home Other Building Blocks 3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)propanoic acid

3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)propanoic acid

CAS No.:
312915-07-4
Catalog Number:
AG01B2IB
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
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Product Description
Catalog Number:
AG01B2IB
Chemical Name:
3-({3-cyano-4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamoyl)propanoic acid
CAS Number:
312915-07-4
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
MDL Number:
MFCD00993635
IUPAC Name:
4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C12H12N2O3S/c13-6-8-7-2-1-3-9(7)18-12(8)14-10(15)4-5-11(16)17/h1-5H2,(H,14,15)(H,16,17)
InChI Key:
CBZQKTUXYAJFKN-UHFFFAOYSA-N
SMILES:
N#Cc1c(NC(=O)CCC(=O)O)sc2c1CCC2
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties