TL;DR: 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid (CAS 1139908-81-8) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
Also Known As: 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid, AF-399/25030001
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.09464 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.09464 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | C1CN[C@@H](C2=CC=CC=C21)CC(=O)O |
| InChIKey | BUAVPRGEIAVFBF-SNVBAGLBSA-N |
The XLogP value of -0.8 indicates that 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.7 Ų, 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is 1139908-81-8.
The molecular formula of 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is C11H13NO2.
The molecular weight of 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid is 191.09464 g/mol.
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