RHV
Summary
| Name: | ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate |
| Formula: | C13 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 250.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate |
| OpenEye OEToolkits | 2.0.6 | ethyl 2-[[(2~{R})-2-(4-methylpyridin-2-yl)propanoyl]amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(NCC(OCC)=O)=O)(C)c1cc(C)ccn1 |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O3/c1-4-18-12(16)8-15-13(17)10(3)11-7-9(2)5-6-14-11/h5-7,10H,4,8H2,1-3H3,(H,15,17)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | KSDRXGUQEISVKG-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CNC(=O)[C@H](C)c1cc(C)ccn1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CNC(=O)[CH](C)c1cc(C)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CNC(=O)[C@H](C)c1cc(ccn1)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CNC(=O)C(C)c1cc(ccn1)C |
