| CAS Number | 2090832-20-3 |
| Catalog Number | AG01FQ1C(AGN-PC-3H5P82) |
| Chemical Name | 1-(4-Methylphenyl)-D-proline |
| IUPAC Name | (2R)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H15NO2/c1-9-4-6-10(7-5-9)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1 |
| InChI Key | YDQNTBQBTVUYIG-LLVKDONJSA-N |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.2530 |
| SMILES | OC(=O)[C@H]1CCCN1c1ccc(cc1)C |
| Synonyms | AS-59309,
(2R)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid,
2090832-20-3,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.110279g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.25g/mol |
| Monoisotopic Mass | 205.110279g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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