| CAS Number | 926272-19-7 |
| Catalog Number | AG019UG7 |
| Chemical Name | Methyl 2-[1-(4-aminophenyl)acetamido]acetate |
| IUPAC Name | methyl 2-[[2-(4-aminophenyl)acetyl]amino]acetate |
| InChI | InChI=1S/C11H14N2O3/c1-16-11(15)7-13-10(14)6-8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3,(H,13,14) |
| InChI Key | JPXDRYXLDMJEPX-UHFFFAOYSA-N |
| MDL Number | MFCD09047479 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | COC(CNC(CC1=CC=C(N)C=C1)=O)=O |
| Synonyms | methyl 2-[2-(4-aminophenyl)acetamido]acetate,
926272-19-7,
methyl 2-[1-(4-aminophenyl)acetamido]acetate,
METHYL {[(4-AMINOPHENYL)ACETYL]AMINO}ACETATE,
AC1Q446X,
CTK6J2631,
ZINC22141331,
AKOS000131002,
MCULE-8459884287,
NE14190,
EN300-41571,
Z425449838,
Glycine, N-[2-(4-aminophenyl)acetyl]-, methyl ester,
|
| Complexity | 248 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number