| CAS Number | 1110717-64-0 |
| Catalog Number | AG01A0PA |
| Chemical Name | 3-({1,3-dimethyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid |
| 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 |
| MDL Number | MFCD09959855 |
| Molecular Formula | C12H14N4O4 |
| Molecular Weight | 278.2640 |
| SMILES | CN1C2=C(N=C(C=C2)NC(CCC(O)=O)=O)N(C)C1=O |
| Synonyms | 3-({1,3-dimethyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid,
1110717-64-0,
SBB079226,
ZINC37407996,
AKOS005169895,
MCULE-2495577451,
NE21244,
Z1431321791,
3-[N-(1,3-dimethyl-2-oxo-4-imidazolino[4,5-e]pyridin-5-yl)carbamoyl]propanoic acid,
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-5-yl)-succinamic acid,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number