0KC
Summary
| Name: | {2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid |
| Formula: | C13 H18 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 299.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [2-[2-(cyclopentylamino)-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CCCC1)COc2ccccc2P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H18NO5P/c15-13(14-10-5-1-2-6-10)9-19-11-7-3-4-8-12(11)20(16,17)18/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)(H2,16,17,18) |
| InChIKey | InChI | 1.03 | OUYPHOGRFCIRMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCC2 |
| SMILES | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O |
