1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate

C137H195F14N11O53S2 — CID 160841835

About 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate

1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate (PubChem CID 160841835) has the molecular formula C137H195F14N11O53S2 and a molecular weight of 3174.20 g/mol. Its IUPAC name is 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate
• PubChem CID: 160841835
• Molecular Formula: C137H195F14N11O53S2
• Molecular Weight: 3174.20 g/mol
• Exact Mass: 3172.21
• IUPAC Name: 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate
• SMILES: C.C.C.C.C.C.C.CC(=O)C1CCC(C(=O)NCCOCCOCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)CC1.CC(=O)C1CCC(C(=O)NCCOCCOCCC(=O)ON2C(=O)CCC2=O)CC1.CC(=O)C1CCC(C(=O)NCCOCCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)CC1.CC(=O)C1CCC(C(=O)NCCOCCOCCC(=O)Oc2c(F)c(F)cc(F)c2F)CC1.CC(=O)CCC(=O)NCC(=O)CCC(=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O.CC(=O)CCC(=O)NCC(=O)CCC(=O)ON1C(=O)CCC1=O.CC(=O)CCC(=O)NCC(=O)CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F.[CH3+].[CH3+]
• InChI: InChI=1S/C22H26F5NO6.C22H27F4NO6.C20H30N2O11S.C20H30N2O8.C16H14F5NO5.C14H18N2O10S.C14H18N2O7.7CH4.2CH3/c1-12(29)13-2-4-14(5-3-13)22(31)28-7-9-33-11-10-32-8-6-15(30)34-21-19(26)17(24)16(23)18(25)20(21)27;1-13(28)14-2-4-15(5-3-14)22(30)27-7-9-32-11-10-31-8-6-18(29)33-21-19(25)16(23)12-17(24)20(21)26;1-13(23)14-2-4-15(5-3-14)19(26)21-7-9-32-11-10-31-8-6-18(25)33-22-17(24)12-16(20(22)27)34(28,29)30;1-14(23)15-2-4-16(5-3-15)20(27)21-9-11-29-13-12-28-10-8-19(26)30-22-17(24)6-7-18(22)25;1-7(23)2-4-9(25)22-6-8(24)3-5-10(26)27-16-14(20)12(18)11(17)13(19)15(16)21;1-8(17)2-4-11(19)15-7-9(18)3-5-13(21)26-16-12(20)6-10(14(16)22)27(23,24)25;1-9(17)2-4-11(19)15-8-10(18)3-7-14(22)23-16-12(20)5-6-13(16)21;;;;;;;;;/h13-14H,2-11H2,1H3,(H,28,31);12,14-15H,2-11H2,1H3,(H,27,30);14-16H,2-12H2,1H3,(H,21,26)(H,28,29,30);15-16H,2-13H2,1H3,(H,21,27);2-6H2,1H3,(H,22,25);10H,2-7H2,1H3,(H,15,19)(H,23,24,25);2-8H2,1H3,(H,15,19);7*1H4;2*1H3/q;;;;;;;;;;;;;;2*+1/p-2
• InChIKey: SIDDWPYGOBVQMI-UHFFFAOYSA-L
• XLogP: 10.74
• TPSA: 896.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 53
• Rotatable Bonds: 77
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3174.20
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate?

The IUPAC name of 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate (CID 160841835) is 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate.

What is the SMILES notation for 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate?

The canonical SMILES for 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate is C.C.C.C.C.C.C.CC(=O)C1CCC(C(=O)NCCOCCOCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)CC1.CC(=O)C1CCC(C(=O)NCCOCCOCCC(=O)ON2C(=O)CCC2=O)CC1.CC(=O)C1CCC(C(=O)NCCOCCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)CC1.CC(=O)C1CCC(C(=O)NCCOCCOCCC(=O)Oc2c(F)c(F)cc(F)c2F)CC1.CC(=O)CCC(=O)NCC(=O)CCC(=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O.CC(=O)CCC(=O)NCC(=O)CCC(=O)ON1C(=O)CCC1=O.CC(=O)CCC(=O)NCC(=O)CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F.[CH3+].[CH3+].

What is the InChIKey of 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate?

The InChIKey is SIDDWPYGOBVQMI-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H26F5NO6.C22H27F4NO6.C20H30N2O11S.C20H30N2O8.C16H14F5NO5.C14H18N2O10S.C14H18N2O7.7CH4.2CH3/c1-12(29)13-2-4-14(5-3-13)22(31)28-7-9-33-11-10-32-8-6-15(30)34-21-19(26)17(24)16(23)18(25)20(21)27;1-13(28)14-2-4-15(5-3-14)22(30)27-7-9-32-11-10-31-8-6-18(29)33-21-19(25)16(23)12-17(24)20(21)26;1-13(23)14-2-4-15(5-3-14)19(26)21-7-9-32-11-10-31-8-6-18(25)33-22-17(24)12-16(20(22)27)34(28,29)30;1-14(23)15-2-4-16(5-3-15)20(27)21-9-11-29-13-12-28-10-8-19(26)30-22-17(24)6-7-18(22)25;1-7(23)2-4-9(25)22-6-8(24)3-5-10(26)27-16-14(20)12(18)11(17)13(19)15(16)21;1-8(17)2-4-11(19)15-7-9(18)3-5-13(21)26-16-12(20)6-10(14(16)22)27(23,24)25;1-9(17)2-4-11(19)15-8-10(18)3-7-14(22)23-16-12(20)5-6-13(16)21;;;;;;;;;/h13-14H,2-11H2,1H3,(H,28,31);12,14-15H,2-11H2,1H3,(H,27,30);14-16H,2-12H2,1H3,(H,21,26)(H,28,29,30);15-16H,2-13H2,1H3,(H,21,27);2-6H2,1H3,(H,22,25);10H,2-7H2,1H3,(H,15,19)(H,23,24,25);2-8H2,1H3,(H,15,19);7*1H4;2*1H3/q;;;;;;;;;;;;;;2*+1/p-2.

What are the key properties of 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate?

1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate has a molecular weight of 3174.20 g/mol, XLogP of 10.74, 77 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;carbanylium;2,5-dioxo-1-[4-oxo-5-(4-oxopentanoylamino)pentanoyl]oxypyrrolidine-3-sulfonate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,5-dioxopyrrolidin-1-yl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;methane;(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate;(2,3,4,5,6-pentafluorophenyl) 4-oxo-5-(4-oxopentanoylamino)pentanoate;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[(4-acetylcyclohexanecarbonyl)amino]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 160841835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).