TL;DR: ((1-((2R)-2-(4-Carbamimidoylbenzamido)propanoyl)piperidin-4-yl)oxy)acetic acid (CAS 144412-20-4) is a chemical compound with molecular formula C18H24N4O5 and molecular weight 376.17468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[(2R)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid
Also Known As: ((1-((2R)-2-(4-Carbamimidoylbenzamido)propanoyl)piperidin-4-yl)oxy)acetic acid, [[1-[(R)-2-[(4-Amidinobenzoyl)amino]propionyl]piperidin-4-yl]oxy]acetic acid, 2-({1-[(2R)-2-[(4-carbamimidoylphenyl)formamido]propanoyl]piperidin-4-yl}oxy)acetic acid, 2-[[1-[(2R)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]-4-piperidyl]oxy]acetic Acid
| Molecular Formula | C18H24N4O5 |
| Molecular Weight | 376.17468 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.17468 Da |
| Heavy Atoms | 27 |
| Complexity | 566.0 |
| SMILES | C[C@H](C(=O)N1CCC(CC1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N |
| InChIKey | BHOGTSLQMNCJHA-LLVKDONJSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((1-((2R)-2-(4-Carbamimidoylbenzamido)propanoyl)piperidin-4-yl)oxy)acetic acid. The TPSA of 146.0 Ų indicates high polarity, suggesting ((1-((2R)-2-(4-Carbamimidoylbenzamido)propanoyl)piperidin-4-yl)oxy)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((1-((2R)-2-(4-Carbamimidoylbenzamido)propanoyl)piperidin-4-yl)oxy)acetic acid has 4 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 ((1-((2R)-2-(4-Carbamimidoylbenzamido)propanoyl)piperidin-4-yl)oxy)acetic acid is 144412-20-4.
The molecular formula of ((1-((2R)-2-(4-Carbamimidoylbenzamido)propanoyl)piperidin-4-yl)oxy)acetic acid is C18H24N4O5.
The molecular weight of ((1-((2R)-2-(4-Carbamimidoylbenzamido)propanoyl)piperidin-4-yl)oxy)acetic acid is 376.17468 g/mol.
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