| CAS Number | 917615-20-4 |
| Catalog Number | AG01BG09(AGN-PC-0OMXWV) |
| Chemical Name | (2S,5S)-5-Phenylpyrrolidine-2-Carboxylic Acid |
| IUPAC Name | (2S,5S)-5-phenylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H13NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10-/m0/s1 |
| InChI Key | SMWADGDVGCZIGK-UWVGGRQHSA-N |
| MDL Number | MFCD18071771 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | O=C(O)[C@H]1N[C@H](C2=CC=CC=C2)CC1 |
| Synonyms | (2S,5S)-5-phenylpyrrolidine-2-carboxylic acid,
917615-20-4,
(5S)-5-Phenyl-L-proline,
SCHEMBL197425,
CTK3I0113,
DTXSID40512172,
L-Proline, 5-phenyl-, (5S)-,
ZINC1602745,
FT-0656564,
EN300-264485,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
Lot Number