| CAS Number | 190957-31-4 |
| Catalog Number | AG00I2TS(AGN-PC-0QK3QR) |
| Chemical Name | Ethyl (1R, 3R)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate |
| IUPAC Name | ethyl (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate |
| InChI | InChI=1S/C15H19NO3/c1-3-19-15(18)13-9-14(17)16(10-13)11(2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m1/s1 |
| InChI Key | BIKRYOSLVLNBBR-DGCLKSJQSA-N |
| MDL Number | MFCD28369574 |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.3163 |
| SMILES | CCOC(=O)[C@H]1CN(C(=O)C1)[C@@H](c1ccccc1)C |
| Synonyms | 190957-31-4,
Ethyl (1R, 3R)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate,
BIKRYOSLVLNBBR-DGCLKSJQSA-N,
ZINC44154505,
ethyl (3R)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylate,
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(1-phenylethyl)-, ethyl ester,[R-(R*,R*)]-,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.321g/mol |
| Monoisotopic Mass | 261.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.6A^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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