Q04
Summary
| Name: | [(1R)-1-amino-2-cyclohexylethyl]phosphonic acid |
| Formula: | C8 H18 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 207.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-2-cyclohexylethyl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [(1R)-1-azanyl-2-cyclohexyl-ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(N)CC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C8H18NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,9H2,(H2,10,11,12)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | VWVYLBIQWASACG-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC1CCCCC1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC1CCCCC1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1CCC(CC1)C[C@H](N)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CCC(CC1)CC(N)P(=O)(O)O |
