| CAS Number | 1110717-65-1 |
| Catalog Number | AG01A0PB |
| Chemical Name | 3-({1,3-diethyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid |
| IUPAC Name | 4-[(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C14H18N4O4/c1-3-17-9-5-6-10(15-11(19)7-8-12(20)21)16-13(9)18(4-2)14(17)22/h5-6H,3-4,7-8H2,1-2H3,(H,20,21)(H,15,16,19) |
| InChI Key | QGCDIBBJRDODAJ-UHFFFAOYSA-N |
| MDL Number | MFCD09959856 |
| Molecular Formula | C14H18N4O4 |
| Molecular Weight | 306.3171 |
| SMILES | CCN1C2=C(N=C(C=C2)NC(CCC(O)=O)=O)N(CC)C1=O |
| Synonyms | 3-({1,3-diethyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid,
1110717-65-1,
SBB079227,
ZINC37407997,
AKOS005169818,
MCULE-4709587614,
NE25774,
Z1431321792,
3-[N-(1,3-diethyl-2-oxo-4-imidazolino[4,5-e]pyridin-5-yl)carbamoyl]propanoic a cid,
N-(1,3-Diethyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-5-yl)-succinamic acid,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.322g/mol |
| Monoisotopic Mass | 306.133g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number