04X
Summary
| Name: | (2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid |
| Formula: | C11 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 226.272 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCC(=CC1)CN2CCOCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1,10,12H,2-8H2,(H,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | IIQVKGCHPWVHMA-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CC=C(CN1)CN2CCOCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CC=C(CN1)CN2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1COCCN1CC2=CC[C@H](NC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1COCCN1CC2=CCC(NC2)C(=O)O |
