| CAS Number | 2137493-73-1 |
| Catalog Number | AG01EKSL |
| Chemical Name | 2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-oxopiperazin-1-yl)propanoic acid |
| IUPAC Name | 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]propanoic acid |
| InChI | InChI=1S/C22H22N2O5/c1-14(21(26)27)24-11-10-23(12-20(24)25)22(28)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19H,10-13H2,1H3,(H,26,27) |
| InChI Key | JYIMJNFMOJYXKD-UHFFFAOYSA-N |
| MDL Number | MFCD31558801 |
| Molecular Formula | C22H22N2O5 |
| Molecular Weight | 394.4205 |
| SMILES | CC(C(O)=O)N1C(=O)CN(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CC1 |
| Synonyms | 2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-oxopiperazin-1-yl)propanoic acid,
2137493-73-1,
|
| Complexity | 631 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.427g/mol |
| Monoisotopic Mass | 394.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number