TL;DR: [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride (CAS 1052527-52-2) is a chemical compound with molecular formula C11H14ClNO4 and molecular weight 259.06113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)acetic acid;hydrochloride
Also Known As: [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride|8175AC|2-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)acetic acid hydrochloride|2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)acetic acid;hydrochloride|[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid|[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]acetic acid hydrochloride|2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)acetic acid hydrochloride|2-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)aceticacidhydrochloride|N-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]glycine--hydrogen chloride (1/1)|SMR000010655|MLS000068078|CHEMBL1509279
| Molecular Formula | C11H14ClNO4 |
| Molecular Weight | 259.06113 g/mol |
| XLogP | 0.9224 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.06113 Da |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
| SMILES | C1C(OC2=CC=CC=C2O1)CNCC(=O)O.Cl |
| InChIKey | WJPZLISMTWMWCG-UHFFFAOYSA-N |
The XLogP value of 0.9224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride. Following Lipinski's Rule of Five, [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride is 1052527-52-2.
The molecular formula of [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride is C11H14ClNO4.
The molecular weight of [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride is 259.06113 g/mol.
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