VY6
Summary
| Name: | 2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid |
| Formula: | C10 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 211.215 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(morpholin-4-ylmethyl)furan-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccoc1CN1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13) |
| InChIKey | InChI | 1.06 | WSBKJYRHFNGTRA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccoc1CN2CCOCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccoc1CN2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1coc(c1C(=O)O)CN2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1coc(c1C(=O)O)CN2CCOCC2 |
