TL;DR: ALPHA-AMINO-GAMMA-BUTYROLACTONEHYDROBROMIDE (CAS 138721-73-0) is a chemical compound with molecular formula C16H28N5O9-3 and molecular weight 434.1887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;hydrate
Also Known As: ALPHA-AMINO-GAMMA-BUTYROLACTONEHYDROBROMIDE, 2-[bis[2-[[2-(methylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate hydrate, 2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;hydrate, 2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate,hydrate, 2,5,8,11-tetraazatridecan-13-oate, 11-[2-(methylamino)-2-oxoethyl]-5,8-bis(2-olato-2-oxoethyl)-3-oxo-, hydrate(1:1)
| Molecular Formula | C16H28N5O9-3 |
| Molecular Weight | 434.1887 g/mol |
| XLogP | -8.19 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 434.1887 Da |
| Heavy Atoms | 30 |
| Complexity | 527.0 |
| SMILES | CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O |
| InChIKey | XPTHPEXVBYEOPW-UHFFFAOYSA-K |
The XLogP value of -8.19 indicates that ALPHA-AMINO-GAMMA-BUTYROLACTONEHYDROBROMIDE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting ALPHA-AMINO-GAMMA-BUTYROLACTONEHYDROBROMIDE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ALPHA-AMINO-GAMMA-BUTYROLACTONEHYDROBROMIDE has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ALPHA-AMINO-GAMMA-BUTYROLACTONEHYDROBROMIDE is 138721-73-0.
The molecular formula of ALPHA-AMINO-GAMMA-BUTYROLACTONEHYDROBROMIDE is C16H28N5O9-3.
The molecular weight of ALPHA-AMINO-GAMMA-BUTYROLACTONEHYDROBROMIDE is 434.1887 g/mol.
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