LO1
Summary
| Name: | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID, |
| Formula: | C9 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 194.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[4-(aminomethyl)phenyl]amino}(oxo)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[[4-(aminomethyl)phenyl]amino]-2-oxo-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(cc1)CN)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NCc1ccc(NC(=O)C(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | NCc1ccc(NC(=O)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CN)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CN)NC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O3/c10-5-6-1-3-7(4-2-6)11-8(12)9(13)14/h1-4H,5,10H2,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | RKILOCCSAVHHJT-UHFFFAOYSA-N |
