| CAS Number | 929974-61-8 |
| Catalog Number | AG019KEQ |
| Chemical Name | 3-(([(4-Methoxyphenyl)amino]carbonyl)amino)propanoic acid |
| IUPAC Name | 3-[(4-methoxyphenyl)carbamoylamino]propanoic acid |
| InChI | InChI=1S/C11H14N2O4/c1-17-9-4-2-8(3-5-9)13-11(16)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,16) |
| InChI Key | VAFJIQCKUUZDPT-UHFFFAOYSA-N |
| MDL Number | MFCD08729235 |
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.2399 |
| SMILES | COC1=CC=C(NC(NCCC(O)=O)=O)C=C1 |
| Synonyms | 3-{[(4-methoxyphenyl)carbamoyl]amino}propanoic acid,
929974-61-8,
Z228474662,
3-({[(4-methoxyphenyl)amino]carbonyl}amino)propanoic acid,
AC1Q4DCB,
CTK7A4766,
ZINC12505267,
AKOS000118079,
MCULE-8190052295,
NE61737,
EN300-26642,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.243g/mol |
| Monoisotopic Mass | 238.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number