TL;DR: 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium (CAS 111690-58-5) is a chemical compound with molecular formula C10H17NO5 and molecular weight 231.11067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2R,6S)-6-(carboxymethyl)-4,4-dimethylmorpholin-4-ium-2-yl]acetate
Also Known As: CMDM, 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium, 1,4-Dioxaspiro[4.10]pentadecane,6-bromo, 2-[(2R,6S)-6-(carboxymethyl)-4,4-dimethylmorpholin-4-ium-2-yl]acetate, 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium hydroxide, inner salt, cis-
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.11067 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.11067 Da |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
| SMILES | C[N+]1(C[C@@H](O[C@@H](C1)CC(=O)[O-])CC(=O)O)C |
| InChIKey | GOSQZULQAKPXLL-OCAPTIKFSA-N |
The XLogP value of -0.3 indicates that 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium. Following Lipinski's Rule of Five, 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium is 111690-58-5.
The molecular formula of 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium is C10H17NO5.
The molecular weight of 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium is 231.11067 g/mol.
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