502
Summary
| Name: | ethyl N-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate |
| Formula: | C11 H16 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 252.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl N-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate |
| OpenEye OEToolkits | 1.9.2 | ethyl 2-[(2-azanylpyridin-4-yl)methylcarbamoylamino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(NCC(=O)OCC)=O)c1ccnc(c1)N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N4O3/c1-2-18-10(16)7-15-11(17)14-6-8-3-4-13-9(12)5-8/h3-5H,2,6-7H2,1H3,(H2,12,13)(H2,14,15,17) |
| InChIKey | InChI | 1.03 | HBRFEPDAWBTTTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CNC(=O)NCc1ccnc(N)c1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CNC(=O)NCc1ccnc(N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOC(=O)CNC(=O)NCc1ccnc(c1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCOC(=O)CNC(=O)NCc1ccnc(c1)N |
