7C2
Summary
| Name: | (6R)-1-aminoundecan-6-yl hydrogen carbonate |
| Formula: | C12 H25 N O3 |
| Formal charge: | 0 |
| Formula weight: | 231.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6R)-1-aminoundecan-6-yl hydrogen carbonate |
| OpenEye OEToolkits | 2.0.6 | [(6~{R})-1-azanylundecan-6-yl] hydrogen carbonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCCC(CCCCCN)OC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H25NO3/c1-2-3-5-8-11(16-12(14)15)9-6-4-7-10-13/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | BLHICXSRHDZESY-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](CCCCCN)OC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC[CH](CCCCCN)OC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC[C@H](CCCCCN)OC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC(CCCCCN)OC(=O)O |
