| CAS Number | 1873205-29-8 |
| Catalog Number | AG01BKBH |
| Chemical Name | 3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-2-yl)propanoic acid |
| IUPAC Name | 3-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]propanoic acid |
| InChI | InChI=1S/C22H23NO4/c24-21(25)12-11-15-6-5-13-23(15)22(26)27-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,25) |
| InChI Key | IFUWGSCZSKIAIA-UHFFFAOYSA-N |
| MDL Number | MFCD31421820 |
| Molecular Formula | C22H23NO4 |
| Molecular Weight | 365.4223 |
| SMILES | O=C(O)CCC1N(C(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)CCC1 |
| Synonyms | 3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-2-yl)propanoic acid,
1873205-29-8,
(S)-3-(1-(((9H-Fluoren-9-yl)methoxy)carbonyl)pyrrolidin-2-yl)propanoic acid,
1013997-51-7,
|
| Complexity | 528 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.429g/mol |
| Monoisotopic Mass | 365.163g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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