SOQ
Summary
| Name: | N-methyl-L-aspartic acid |
| Formula: | C5 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 147.129 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(methylamino)butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | HOKKHZGPKSLGJE-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@@H](CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(CC(=O)O)C(=O)O |
