| CAS Number | 2138357-77-2 |
| Catalog Number | AG01EKQ0 |
| Chemical Name | 6-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)azetidin-1-yl]pyridine-3-carboxylic acid |
| IUPAC Name | 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidin-1-yl]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C24H21N3O4/c28-23(29)15-9-10-22(25-11-15)27-12-16(13-27)26-24(30)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,16,21H,12-14H2,(H,26,30)(H,28,29) |
| InChI Key | OMSDOIVCJKABEI-UHFFFAOYSA-N |
| MDL Number | MFCD31590037 |
| Molecular Formula | C24H21N3O4 |
| Molecular Weight | 415.4412 |
| SMILES | OC(C1=CN=C(N2CC(NC(OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)=O)C2)C=C1)=O |
| Synonyms | AKOS034069718,
6-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)azetidin-1-yl]pyridine-3-carboxylic acid,
2138357-77-2,
|
| Complexity | 645 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 415.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.449g/mol |
| Monoisotopic Mass | 415.153g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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