K6V
Summary
| Name: | N-[(2S)-1-hydroxypropan-2-yl]butanamide |
| Formula: | C7 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 145.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-1-hydroxypropan-2-yl]butanamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2~{S})-1-oxidanylpropan-2-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(C)NC(CCC)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-3-4-7(10)8-6(2)5-9/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | LQLCVBWKNBEZHW-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)N[C@@H](C)CO |
| SMILES | CACTVS | 3.385 | CCCC(=O)N[CH](C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCC(=O)N[C@@H](C)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCC(=O)NC(C)CO |
