ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)

C139H204F7N14O21Y7+7 — CID 159875411

About ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)

ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium) (PubChem CID 159875411) has the molecular formula C139H204F7N14O21Y7+7 and a molecular weight of 3162.57 g/mol. Its IUPAC name is ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium).

Molecular Properties

• Compound Name: ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)
• PubChem CID: 159875411
• Molecular Formula: C139H204F7N14O21Y7+7
• Molecular Weight: 3162.57 g/mol
• Exact Mass: 3160.86
• IUPAC Name: ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)
• SMILES: CCCC(C(=O)Nc1c(C)cc(F)cc1C(=O)OCC)[N+]1(CC)CCCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C(C)[N+]1(CC)CCCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C(CC)[N+]1(CC)CCCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C(CC)[N+]1(CC)CCCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C1([N+]2(CC)CCCC2)CC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C1([N+]2(CC)CCCC2)CCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C[N+]1(CC)CCCC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C21H29FN2O3.C21H31FN2O3.C20H27FN2O3.2C20H29FN2O3.C19H27FN2O3.C18H25FN2O3.7Y/c1-4-24(11-6-7-12-24)21(9-8-10-21)20(26)23-18-15(3)13-16(22)14-17(18)19(25)27-5-2;1-5-10-18(24(6-2)11-8-9-12-24)20(25)23-19-15(4)13-16(22)14-17(19)21(26)27-7-3;1-4-23(10-6-7-11-23)20(8-9-20)19(25)22-17-14(3)12-15(21)13-16(17)18(24)26-5-2;2*1-5-17(23(6-2)10-8-9-11-23)19(24)22-18-14(4)12-15(21)13-16(18)20(25)26-7-3;1-5-22(9-7-8-10-22)14(4)18(23)21-17-13(3)11-15(20)12-16(17)19(24)25-6-2;1-4-21(8-6-7-9-21)12-16(22)20-17-13(3)10-14(19)11-15(17)18(23)24-5-2;;;;;;;/h13-14H,4-12H2,1-3H3;13-14,18H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;2*12-13,17H,5-11H2,1-4H3;11-12,14H,5-10H2,1-4H3;10-11H,4-9,12H2,1-3H3;;;;;;;/p+7
• InChIKey: ISNSWXUNTSALES-UHFFFAOYSA-U
• XLogP: 24.71
• TPSA: 387.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 46
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3162.57
LogP ≤ 5	24.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)?

The IUPAC name of ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium) (CID 159875411) is ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium).

What is the SMILES notation for ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)?

The canonical SMILES for ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium) is CCCC(C(=O)Nc1c(C)cc(F)cc1C(=O)OCC)[N+]1(CC)CCCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C(C)[N+]1(CC)CCCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C(CC)[N+]1(CC)CCCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C(CC)[N+]1(CC)CCCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C1([N+]2(CC)CCCC2)CC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C1([N+]2(CC)CCCC2)CCC1.CCOC(=O)c1cc(F)cc(C)c1NC(=O)C[N+]1(CC)CCCC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].

What is the InChIKey of ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)?

The InChIKey is ISNSWXUNTSALES-UHFFFAOYSA-U. The full InChI is InChI=1S/C21H29FN2O3.C21H31FN2O3.C20H27FN2O3.2C20H29FN2O3.C19H27FN2O3.C18H25FN2O3.7Y/c1-4-24(11-6-7-12-24)21(9-8-10-21)20(26)23-18-15(3)13-16(22)14-17(18)19(25)27-5-2;1-5-10-18(24(6-2)11-8-9-12-24)20(25)23-19-15(4)13-16(22)14-17(19)21(26)27-7-3;1-4-23(10-6-7-11-23)20(8-9-20)19(25)22-17-14(3)12-15(21)13-16(17)18(24)26-5-2;2*1-5-17(23(6-2)10-8-9-11-23)19(24)22-18-14(4)12-15(21)13-16(18)20(25)26-7-3;1-5-22(9-7-8-10-22)14(4)18(23)21-17-13(3)11-15(20)12-16(17)19(24)25-6-2;1-4-21(8-6-7-9-21)12-16(22)20-17-13(3)10-14(19)11-15(17)18(23)24-5-2;;;;;;;/h13-14H,4-12H2,1-3H3;13-14,18H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;2*12-13,17H,5-11H2,1-4H3;11-12,14H,5-10H2,1-4H3;10-11H,4-9,12H2,1-3H3;;;;;;;/p+7.

What are the key properties of ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium)?

ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium) has a molecular weight of 3162.57 g/mol, XLogP of 24.71, 46 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-fluoro-3-methylbenzoate;bis(ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)butanoylamino]-5-fluoro-3-methylbenzoate);ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclobutanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[[1-(1-ethylpyrrolidin-1-ium-1-yl)cyclopropanecarbonyl]amino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)pentanoylamino]-5-fluoro-3-methylbenzoate;ethyl 2-[2-(1-ethylpyrrolidin-1-ium-1-yl)propanoylamino]-5-fluoro-3-methylbenzoate;heptakis(yttrium) is sourced from PubChem (CID 159875411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).