| CAS Number | 342626-46-4 |
| Catalog Number | AG00CMUM(AGN-PC-0WH4UP) |
| Chemical Name | methyl 3-[(4-aminophenyl)formamido]propanoate |
| IUPAC Name | methyl 3-[(4-aminobenzoyl)amino]propanoate |
| InChI | InChI=1S/C11H14N2O3/c1-16-10(14)6-7-13-11(15)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3,(H,13,15) |
| InChI Key | AGYOUYKNKGJRHR-UHFFFAOYSA-N |
| MDL Number | MFCD11505360 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | COC(CCNC(C1=CC=C(N)C=C1)=O)=O |
| Synonyms | methyl 3-[(4-aminobenzoyl)amino]propanoate,
342626-46-4,
N-(4-Aminobenzoyl)-beta-alanine Methyl Ester,
Methyl 3-(4-aminobenzamido)propanoate,
methyl 3-[(4-aminophenyl)formamido]propanoate,
SCHEMBL2667533,
CTK6J2491,
AC1Q4446,
ZINC32626848,
AKOS009122508,
MCULE-1099452176,
NE24077,
EN300-27619,
J-019536,
Z415636626,
N-(4-aminobenzoyl)-beta-Alanine, 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 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number