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 |