2BX
Summary
| Name: | [(2S)-5,5-dimethylmorpholin-2-yl]acetic acid |
| Synonyms: | SCH50911 |
| Formula: | C8 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 173.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S)-5,5-dimethylmorpholin-2-yl]acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(2S)-5,5-dimethylmorpholin-2-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC1OCC(NC1)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | SEYCKMQSPUVYEF-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CO[C@H](CN1)CC(O)=O |
| SMILES | CACTVS | 3.385 | CC1(C)CO[CH](CN1)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(CO[C@H](CN1)CC(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(COC(CN1)CC(=O)O)C |
