![3-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]-5-methylhexanoic Acid](https://resource.bocsci.com/structure/228104-41-4.gif)
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| IUPAC Name: | 5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid |
| Description: | 3-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]-5-methylhexanoic Acid is an intermediate in synthesizing 4,9-Diisobutyl-1,6-diazecane-2,7-dione (D456300), an impurity of rac-Pregabalin (P704800) which is a GABA analogue used as an anticonvulsant. |
| Molecular Weight: | 259.34 |
| Molecular Formula: | C13H25NO4 |
| Canonical SMILES: | CC(C)CC(CC(=O)O)CNC(=O)OC(C)(C)C |
| InChI: | InChI=1S/C13H25NO4/c1-9(2)6-10(7-11(15)16)8-14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)(H,15,16) |
| InChI Key: | PYBXMFXUNZVYRB-UHFFFAOYSA-N |
| Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
| Appearance: | Off White Solid |
| Storage: | -20°C Freezer, Under inert atmosphere |
| References: | Taylor, C.P., at al. Epilepsy Res., 14, 11 (1993), Field, M.J., et al. Pain, 80, 391 (1999). |
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