| CAS Number | 2137718-93-3 |
| Catalog Number | AG01EL1Q |
| Chemical Name | 2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutyl]acetic acid |
| IUPAC Name | 2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetic acid |
| InChI | InChI=1S/C21H21NO4/c23-20(24)11-13-9-14(10-13)22-21(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,22,25)(H,23,24) |
| InChI Key | SETQPPSEGAFPJS-UHFFFAOYSA-N |
| MDL Number | MFCD31421648 |
| Molecular Formula | C21H21NO4 |
| Molecular Weight | 351.3957 |
| SMILES | OC(CC1CC(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C1)=O |
| Synonyms | AKOS034072585,
2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutyl]acetic acid, Mixture of diastereomers,
2137718-93-3,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.402g/mol |
| Monoisotopic Mass | 351.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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