| CAS Number | 1213324-51-6 |
| Catalog Number | AG00HG3B(AGN-PC-0WR727) |
| Chemical Name | (S)-Methyl 2-amino-3-(o-tolyl)propanoate |
| IUPAC Name | methyl (2S)-2-amino-3-(2-methylphenyl)propanoate |
| InChI | InChI=1S/C11H15NO2/c1-8-5-3-4-6-9(8)7-10(12)11(13)14-2/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1 |
| InChI Key | KXWBUUKZTWGWCG-JTQLQIEISA-N |
| MDL Number | MFCD08058210 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | COC(=O)[C@H](Cc1ccccc1C)N |
| Synonyms | (S)-Methyl 2-amino-3-(o-tolyl)propanoate,
1213324-51-6,
METHYL (2S)-2-AMINO-3-(2-METHYLPHENYL)PROPANOATE,
ZINC57489010,
AKOS030627118,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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