TL;DR: 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid (CAS 1185304-27-1) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoic acid
Also Known As: RCL L209872, BAS 03301563, 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid, 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0, 3-(3,5-DIOXO-4-AZATETRACYCLO[5.3.2.0(2,6).0(8,10)]DODEC-11-EN-4-YL)PROPANOIC ACID
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.1001 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1001 Da |
| Heavy Atoms | 19 |
| Complexity | 490.0 |
| SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)O |
| InChIKey | QVKBNBWTDBEIPL-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid is 1185304-27-1.
The molecular formula of 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid is C14H15NO4.
The molecular weight of 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoic acid is 261.1001 g/mol.
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