MDH
Summary
| Name: | N-METHYLDEHYDROBUTYRINE |
| Formula: | C5 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 115.13 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z)-2-(methylamino)but-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (Z)-2-methylaminobut-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=C/C)/NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CN\C(=C/C)C(O)=O |
| SMILES | CACTVS | 3.341 | CNC(=CC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C=C(\C(=O)O)/NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC=C(C(=O)O)NC |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO2/c1-3-4(6-2)5(7)8/h3,6H,1-2H3,(H,7,8)/b4-3- |
| InChIKey | InChI | 1.03 | XLSUHJCPPCGPHF-ARJAWSKDSA-N |
