| CAS Number | 1308987-90-7 |
| Catalog Number | AG019PY8 |
| Chemical Name | 2-([(4-Methylphenyl)carbamoyl]amino)propanoic acid |
| IUPAC Name | 2-[(4-methylphenyl)carbamoylamino]propanoic acid |
| InChI | InChI=1S/C11H14N2O3/c1-7-3-5-9(6-4-7)13-11(16)12-8(2)10(14)15/h3-6,8H,1-2H3,(H,14,15)(H2,12,13,16) |
| InChI Key | VNMHKGDEXLJPNL-UHFFFAOYSA-N |
| MDL Number | MFCD12169864 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | CC(C(=O)O)NC(=O)Nc1ccc(cc1)C |
| Synonyms | 2-{[(4-methylphenyl)carbamoyl]amino}propanoic acid,
EN300-86710,
1308987-90-7,
AC1N6RHQ,
AC1Q2BKB,
2-[(4-methylphenyl)carbamoylamino]propanoic Acid,
SCHEMBL20335132,
AKOS009113632,
CID4239448,
(2R)-2-({[(4-methylphenyl)amino]carbonyl}amino)propanoic acid,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number