Home Other Building Blocks 3-({1,3-dimethyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid

3-({1,3-dimethyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid

CAS No.:
1110717-64-0
Catalog Number:
AG01A0PA
Molecular Formula:
C12H14N4O4
Molecular Weight:
278.2640
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Product Description
Catalog Number:
AG01A0PA
Chemical Name:
3-({1,3-dimethyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid
CAS Number:
1110717-64-0
Molecular Formula:
C12H14N4O4
Molecular Weight:
278.2640
MDL Number:
MFCD09959855
IUPAC Name:
4-[(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C12H14N4O4/c1-15-7-3-4-8(13-9(17)5-6-10(18)19)14-11(7)16(2)12(15)20/h3-4H,5-6H2,1-2H3,(H,18,19)(H,13,14,17)
InChI Key:
NVORFSCEAWMMGS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(n1)n(C)c(=O)n2C)CCC(=O)O
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.102g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.268g/mol
Monoisotopic Mass:
278.102g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties