Home Other Building Blocks 3-[(3-carbamoylthiophen-2-yl)carbamoyl]propanoic acid

3-[(3-carbamoylthiophen-2-yl)carbamoyl]propanoic acid

CAS No.:
590376-36-6
Catalog Number:
AG019JOS
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
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Product Description
Catalog Number:
AG019JOS
Chemical Name:
3-[(3-carbamoylthiophen-2-yl)carbamoyl]propanoic acid
CAS Number:
590376-36-6
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
MDL Number:
MFCD03946372
IUPAC Name:
4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C9H10N2O4S/c10-8(15)5-3-4-16-9(5)11-6(12)1-2-7(13)14/h3-4H,1-2H2,(H2,10,15)(H,11,12)(H,13,14)
InChI Key:
AKDRFBNTQZATID-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)Nc1sccc1C(=O)N
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.249g/mol
Monoisotopic Mass:
242.036g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties