TL;DR: 2-(((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)propanoic acid (CAS 1396966-31-6) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.1107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylamino]propanoic acid
Also Known As: 2-(((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)propanoic acid, 2-((7-HO-4-OXO-1,2,3,4-4H-CYCLOPENTA(C)CHROMEN-6-YLMETHYL)-AMINO)-PROPIONIC ACID, 2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylamino]propanoic acid
| Molecular Formula | C16H17NO5 |
| Molecular Weight | 303.1107 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.1107 Da |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
| SMILES | CC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O |
| InChIKey | AFDCVEKQYSLRDS-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)propanoic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)propanoic acid. Following Lipinski's Rule of Five, 2-(((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)propanoic acid has 2 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-(((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)propanoic acid is 1396966-31-6.
The molecular formula of 2-(((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)propanoic acid is C16H17NO5.
The molecular weight of 2-(((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)methyl)amino)propanoic acid is 303.1107 g/mol.
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