| CAS Number | 925050-77-7 |
| Catalog Number | AG01DOQV(AGN-PC-0WBXFA) |
| Chemical Name | 4-((4-Isobutyramidophenyl)amino)-4-oxobutanoic acid |
| IUPAC Name | 4-[4-(2-methylpropanoylamino)anilino]-4-oxobutanoic acid |
| InChI | InChI=1S/C14H18N2O4/c1-9(2)14(20)16-11-5-3-10(4-6-11)15-12(17)7-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19) |
| InChI Key | RQJBAVMHYSPNGM-UHFFFAOYSA-N |
| MDL Number | MFCD09428041 |
| Molecular Formula | C14H18N2O4 |
| Molecular Weight | 278.3037 |
| SMILES | CC(C(=O)Nc1ccc(cc1)NC(=O)CCC(=O)O)C |
| Synonyms | 4-[4-(isobutyrylamino)anilino]-4-oxobutanoic acid,
925050-77-7,
4-((4-Isobutyramidophenyl)amino)-4-oxobutanoic acid,
ARONIS015152,
4-{[4-(isobutyrylamino)phenyl]amino}-4-oxobutanoic acid,
CTK6A3176,
ZINC9230404,
3323AF,
SBB080206,
STL067565,
AKOS000319668,
MCULE-3282140669,
KS-000045F5,
TR-049588,
BB 0259577,
AN-329/43448553,
3-{[4-(2-methylpropanamido)phenyl]carbamoyl}propanoic acid,
3-{N-[4-(2-methylpropanoylamino)phenyl]carbamoyl}propanoic acid,
4-({4-[(2-methylpropanoyl)amino]phenyl}amino)-4-oxobutanoic acid,
C14H18N2O4,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.308g/mol |
| Monoisotopic Mass | 278.127g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number