| CAS Number | 2137470-37-0 |
| Catalog Number | AG01EKOP |
| Chemical Name | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-methyl-5-oxopiperazine-2-carboxylic acid |
| IUPAC Name | 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid |
| InChI | InChI=1S/C21H20N2O5/c1-22-10-18(20(25)26)23(11-19(22)24)21(27)28-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,25,26) |
| InChI Key | UJBSYYVOTQAZGU-UHFFFAOYSA-N |
| MDL Number | MFCD27926305 |
| Molecular Formula | C21H20N2O5 |
| Molecular Weight | 380.3939 |
| SMILES | CN1C(=O)CN(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C(C(O)=O)C1 |
| Synonyms | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-methyl-5-oxopiperazine-2-carboxylic acid,
2137470-37-0,
|
| Complexity | 616 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.4g/mol |
| Monoisotopic Mass | 380.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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