| CAS Number | 400748-16-5 |
| Catalog Number | AG019J14(AGN-PC-0RLQ1N) |
| Chemical Name | 3-[(2-methoxyphenyl)formamido]propanoic acid |
| IUPAC Name | 3-[(2-methoxybenzoyl)amino]propanoic acid |
| InChI | InChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)11(15)12-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14) |
| InChI Key | SAXZUBJYBCFOER-UHFFFAOYSA-N |
| MDL Number | MFCD00450167 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | COC1=C(C(NCCC(O)=O)=O)C=CC=C1 |
| Synonyms | 3-[(2-methoxybenzoyl)amino]propanoic Acid,
3-[(2-methoxyphenyl)formamido]propanoic acid,
400748-16-5,
AC1M4FAG,
N-o-anisoyl-beta-alanine,
AC1Q44ZI,
SCHEMBL3199672,
CTK7B0579,
SAXZUBJYBCFOER-UHFFFAOYSA-N,
ZINC3160986,
AKOS000117263,
MCULE-6747574640,
NE57542,
EN300-08319,
SR-01000044842,
SR-01000044842-1,
CID2306682,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number