| CAS Number | 167417-03-0 |
| Catalog Number | AG01EKF1 |
| Chemical Name | (2S)-2-[(2-methoxyphenyl)formamido]propanoic acid |
| IUPAC Name | (2S)-2-[(2-methoxybenzoyl)amino]propanoic acid |
| InChI | InChI=1S/C11H13NO4/c1-7(11(14)15)12-10(13)8-5-3-4-6-9(8)16-2/h3-7H,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1 |
| InChI Key | FAEYXAMDOMXIJF-ZETCQYMHSA-N |
| MDL Number | MFCD22382008 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | COC1=C(C(N[C@H](C(O)=O)C)=O)C=CC=C1 |
| Synonyms | SCHEMBL2251629,
N-(2-Methoxybenzoyl)-L-alanine,
ZINC11888828,
AKOS010368220,
(S)-2-(2-methoxybenzamido)propanoic acid,
167417-03-0,
o-methoxybenzoylalanine,
CID10466151,
(2S)-2-[(2-methoxybenzoyl)amino]propanoic Acid,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number