| CAS Number | 204318-02-5 |
| Catalog Number | AG0029FE(AGN-PC-0WAHUF) |
| Chemical Name | (2S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-(piperidin-1-yl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-piperidin-1-ylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C25H28N2O4/c28-24(29)23-14-17(26-12-6-1-7-13-26)15-27(23)25(30)31-16-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-5,8-11,17,22-23H,1,6-7,12-16H2,(H,28,29)/t17?,23-/m0/s1 |
| InChI Key | HMXYVJRIIYUTRR-VXLWULRPSA-N |
| MDL Number | MFCD00273479 |
| Molecular Formula | C25H28N2O4 |
| Molecular Weight | 420.5008 |
| SMILES | O=C(N1CCC(N2[C@H](C(O)=O)CCC2)CC1)OCC3C4=C(C5=C3C=CC=C5)C=CC=C4 |
| Synonyms | (2S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-(piperidin-1-yl)pyrrolidine-2-carboxylic acid,
204318-02-5,
CTK4E4208,
DTXSID80724974,
AKOS024462554,
FMOC-4-PIPERIDIN-1-YL-L-PROLINE,
AK162661,
AX8294728,
FT-0697980,
1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-4-piperidin-1-yl-L-proline,
FMOC-4-PIPERIDINO-L-PROLINE,
ACN-026395,
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-piperidin-1-ylpyrrolidine-2-carboxylic acid,
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| Complexity | 642 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 420.509g/mol |
| Monoisotopic Mass | 420.205g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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