| CAS Number | 248603-82-9 |
| Catalog Number | AG00I4R7(AGN-PC-0WR6Z6) |
| Chemical Name | Methyl 2-([(1s)-1-phenylethyl]amino)acetate |
| IUPAC Name | methyl 2-[[(1S)-1-phenylethyl]amino]acetate |
| InChI | InChI=1S/C11H15NO2/c1-9(12-8-11(13)14-2)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m0/s1 |
| InChI Key | DMDBHLORZIDHQB-VIFPVBQESA-N |
| MDL Number | MFCD18903630 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | COC(=O)CN[C@H](c1ccccc1)C |
| Synonyms | Methyl 2-([(1s)-1-phenylethyl]amino)acetate,
248603-82-9,
SCHEMBL6809830,
DMDBHLORZIDHQB-VIFPVBQESA-N,
ZINC58733126,
AKOS017391818,
Methyl 2-[(1S)-1-phenylethyl]aminoacetate,
methyl-2-[(1S)-1-phenylethyl]aminoacetate,
|
| Complexity | 176 |
| 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 | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number