TBJ
Summary
| Name: | N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea |
| Formula: | C11 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea |
| OpenEye OEToolkits | 2.0.7 | 1-cyclopentyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2C(NC(NCC1CCCO1)=O)CCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | GZCFMEFTVSKHDE-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC[C@H]1CCCO1)NC2CCCC2 |
| SMILES | CACTVS | 3.385 | O=C(NC[CH]1CCCO1)NC2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCC(C1)NC(=O)NC[C@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCC(C1)NC(=O)NCC2CCCO2 |
