2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide

C165H268Br2F9I2N18O46PS2+4 — CID 159557248

IUPAC2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide
SMILESC.CC[N+](C)(C)C.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)Cc1ccc(COC)cc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CN(CC(=O)O)CC(=O)O.CN1C(=O)c2cc(C(=O)O)c(C(=O)O)cc2C1=O.CNC(=O)N1CC[N+](C)(C)CC1.CNC(=O)Nc1cc[n+](C)cc1.COCCCCCOc1cc(C(=O)O)nc(C(=O)O)c1.COCCCCS(=O)(=O)O.COCCC[n+]1ccc(CCC(=O)O)cc1.COCCC[n+]1ccccc1CCCO.COCCOCCC(C(=O)O)C(=O)O.COCCOCCOCC[N+]1(C)CCCN(C)CCN(C)CCCN(C)CC1.Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[I-].[I-]
InChIInChI=1S/C21H47N4O3.C20H20P.C15H26NO.C13H17NO6.C12H17NO3.C12H20NO2.C11H7NO6.C8H17N3O.C8H11N3O.C8H20N.C8H14O6.C7H8O3S.C5H9NO4.C5H14N.C5H12O4S.3C2HF3O2.CH4.2BrH.2HI/c1-22-8-6-9-24(3)13-15-25(4,14-7-10-23(2)12-11-22)16-17-27-20-21-28-19-18-26-5;1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-5-16(6-2,7-3)12-14-8-10-15(11-9-14)13-17-4;1-19-5-3-2-4-6-20-9-7-10(12(15)16)14-11(8-9)13(17)18;1-16-10-2-7-13-8-5-11(6-9-13)3-4-12(14)15;1-15-11-5-9-13-8-3-2-6-12(13)7-4-10-14;1-12-8(13)4-2-6(10(15)16)7(11(17)18)3-5(4)9(12)14;1-9-8(12)10-4-6-11(2,3)7-5-10;1-9-8(12)10-7-3-5-11(2)6-4-7;1-5-9(6-2,7-3)8-4;1-13-4-5-14-3-2-6(7(9)10)8(11)12;1-6-2-4-7(5-3-6)11(8,9)10;1-6(2-4(7)8)3-5(9)10;1-5-6(2,3)4;1-9-4-2-3-5-10(6,7)8;3*3-2(4,5)1(6)7;;;;;/h6-21H2,1-5H3;3-17H,2H2,1H3;8-11H,5-7,12-13H2,1-4H3;7-8H,2-6H2,1H3,(H,15,16)(H,17,18);5-6,8-9H,2-4,7,10H2,1H3;2-3,6,8,14H,4-5,7,9-11H2,1H3;2-3H,1H3,(H,15,16)(H,17,18);4-7H2,1-3H3;3-6H,1-2H3,(H,9,12);5-8H2,1-4H3;6H,2-5H2,1H3,(H,9,10)(H,11,12);2-5H,1H3,(H,8,9,10);2-3H2,1H3,(H,7,8)(H,9,10);5H2,1-4H3;2-5H2,1H3,(H,6,7,8);3*(H,6,7);1H4;4*1H/q3*+1;;;+1;;;;+1;;;;+1;;;;;;;;;/p-2
InChIKeyRFGVJMPIXKYERD-UHFFFAOYSA-L
MW3919.74 g/mol
LogP4.10
Rot. Bonds69

About 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide

2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide (PubChem CID 159557248) has the molecular formula C165H268Br2F9I2N18O46PS2+4 and a molecular weight of 3919.74 g/mol. Its IUPAC name is 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide.

Molecular Properties

Compound Name2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide
PubChem CID159557248
Molecular FormulaC165H268Br2F9I2N18O46PS2+4
Molecular Weight3919.74 g/mol
Exact Mass3915.47
IUPAC Name2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide
SMILESC.CC[N+](C)(C)C.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)Cc1ccc(COC)cc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CN(CC(=O)O)CC(=O)O.CN1C(=O)c2cc(C(=O)O)c(C(=O)O)cc2C1=O.CNC(=O)N1CC[N+](C)(C)CC1.CNC(=O)Nc1cc[n+](C)cc1.COCCCCCOc1cc(C(=O)O)nc(C(=O)O)c1.COCCCCS(=O)(=O)O.COCCC[n+]1ccc(CCC(=O)O)cc1.COCCC[n+]1ccccc1CCCO.COCCOCCC(C(=O)O)C(=O)O.COCCOCCOCC[N+]1(C)CCCN(C)CCN(C)CCCN(C)CC1.Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[I-].[I-]
InChIInChI=1S/C21H47N4O3.C20H20P.C15H26NO.C13H17NO6.C12H17NO3.C12H20NO2.C11H7NO6.C8H17N3O.C8H11N3O.C8H20N.C8H14O6.C7H8O3S.C5H9NO4.C5H14N.C5H12O4S.3C2HF3O2.CH4.2BrH.2HI/c1-22-8-6-9-24(3)13-15-25(4,14-7-10-23(2)12-11-22)16-17-27-20-21-28-19-18-26-5;1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-5-16(6-2,7-3)12-14-8-10-15(11-9-14)13-17-4;1-19-5-3-2-4-6-20-9-7-10(12(15)16)14-11(8-9)13(17)18;1-16-10-2-7-13-8-5-11(6-9-13)3-4-12(14)15;1-15-11-5-9-13-8-3-2-6-12(13)7-4-10-14;1-12-8(13)4-2-6(10(15)16)7(11(17)18)3-5(4)9(12)14;1-9-8(12)10-4-6-11(2,3)7-5-10;1-9-8(12)10-7-3-5-11(2)6-4-7;1-5-9(6-2,7-3)8-4;1-13-4-5-14-3-2-6(7(9)10)8(11)12;1-6-2-4-7(5-3-6)11(8,9)10;1-6(2-4(7)8)3-5(9)10;1-5-6(2,3)4;1-9-4-2-3-5-10(6,7)8;3*3-2(4,5)1(6)7;;;;;/h6-21H2,1-5H3;3-17H,2H2,1H3;8-11H,5-7,12-13H2,1-4H3;7-8H,2-6H2,1H3,(H,15,16)(H,17,18);5-6,8-9H,2-4,7,10H2,1H3;2-3,6,8,14H,4-5,7,9-11H2,1H3;2-3H,1H3,(H,15,16)(H,17,18);4-7H2,1-3H3;3-6H,1-2H3,(H,9,12);5-8H2,1-4H3;6H,2-5H2,1H3,(H,9,10)(H,11,12);2-5H,1H3,(H,8,9,10);2-3H2,1H3,(H,7,8)(H,9,10);5H2,1-4H3;2-5H2,1H3,(H,6,7,8);3*(H,6,7);1H4;4*1H/q3*+1;;;+1;;;;+1;;;;+1;;;;;;;;;/p-2
InChIKeyRFGVJMPIXKYERD-UHFFFAOYSA-L
XLogP4.10
TPSA829.27 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds69
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003919.74
LogP ≤ 54.10
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide with MolForge

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Launch Full Analysis

Related Compounds

2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;iodide
CID 160417504
2-[Carboxymethyl(methyl)amino]acetic acid;ethyl-[2-[5-methoxypentyl(dimethyl)azaniumyl]ethyl]-dimethylazanium;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;triethyl-[[6-(methoxymethyl)-2-pyridinyl]methyl]azanium;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid;dibromide;trichloride;diiodide
CID 160537212

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide?
The IUPAC name of 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide (CID 159557248) is 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide.
What is the SMILES notation for 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide?
The canonical SMILES for 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide is C.CC[N+](C)(C)C.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)Cc1ccc(COC)cc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CN(CC(=O)O)CC(=O)O.CN1C(=O)c2cc(C(=O)O)c(C(=O)O)cc2C1=O.CNC(=O)N1CC[N+](C)(C)CC1.CNC(=O)Nc1cc[n+](C)cc1.COCCCCCOc1cc(C(=O)O)nc(C(=O)O)c1.COCCCCS(=O)(=O)O.COCCC[n+]1ccc(CCC(=O)O)cc1.COCCC[n+]1ccccc1CCCO.COCCOCCC(C(=O)O)C(=O)O.COCCOCCOCC[N+]1(C)CCCN(C)CCN(C)CCCN(C)CC1.Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.[Br-].[Br-].[I-].[I-].
What is the InChIKey of 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide?
The InChIKey is RFGVJMPIXKYERD-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H47N4O3.C20H20P.C15H26NO.C13H17NO6.C12H17NO3.C12H20NO2.C11H7NO6.C8H17N3O.C8H11N3O.C8H20N.C8H14O6.C7H8O3S.C5H9NO4.C5H14N.C5H12O4S.3C2HF3O2.CH4.2BrH.2HI/c1-22-8-6-9-24(3)13-15-25(4,14-7-10-23(2)12-11-22)16-17-27-20-21-28-19-18-26-5;1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-5-16(6-2,7-3)12-14-8-10-15(11-9-14)13-17-4;1-19-5-3-2-4-6-20-9-7-10(12(15)16)14-11(8-9)13(17)18;1-16-10-2-7-13-8-5-11(6-9-13)3-4-12(14)15;1-15-11-5-9-13-8-3-2-6-12(13)7-4-10-14;1-12-8(13)4-2-6(10(15)16)7(11(17)18)3-5(4)9(12)14;1-9-8(12)10-4-6-11(2,3)7-5-10;1-9-8(12)10-7-3-5-11(2)6-4-7;1-5-9(6-2,7-3)8-4;1-13-4-5-14-3-2-6(7(9)10)8(11)12;1-6-2-4-7(5-3-6)11(8,9)10;1-6(2-4(7)8)3-5(9)10;1-5-6(2,3)4;1-9-4-2-3-5-10(6,7)8;3*3-2(4,5)1(6)7;;;;;/h6-21H2,1-5H3;3-17H,2H2,1H3;8-11H,5-7,12-13H2,1-4H3;7-8H,2-6H2,1H3,(H,15,16)(H,17,18);5-6,8-9H,2-4,7,10H2,1H3;2-3,6,8,14H,4-5,7,9-11H2,1H3;2-3H,1H3,(H,15,16)(H,17,18);4-7H2,1-3H3;3-6H,1-2H3,(H,9,12);5-8H2,1-4H3;6H,2-5H2,1H3,(H,9,10)(H,11,12);2-5H,1H3,(H,8,9,10);2-3H2,1H3,(H,7,8)(H,9,10);5H2,1-4H3;2-5H2,1H3,(H,6,7,8);3*(H,6,7);1H4;4*1H/q3*+1;;;+1;;;;+1;;;;+1;;;;;;;;;/p-2.
What are the key properties of 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide?
2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide has a molecular weight of 3919.74 g/mol, XLogP of 4.10, 69 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(methyl)amino]acetic acid;ethyl(trimethyl)azanium;ethyl(triphenyl)phosphanium;methane;4-methoxybutane-1-sulfonic acid;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,4,8,11-tetramethyl-4,8,11-triaza-1-azoniacyclotetradecane;2-[2-(2-methoxyethoxy)ethyl]propanedioic acid;4-(5-methoxypentoxy)pyridine-2,6-dicarboxylic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-4-yl]propanoic acid;3-[1-(3-methoxypropyl)pyridin-1-ium-2-yl]propan-1-ol;4-methylbenzenesulfonic acid;2-methyl-1,3-dioxoisoindole-5,6-dicarboxylic acid;1-methyl-3-(1-methylpyridin-1-ium-4-yl)urea;tetraethylazanium;triethyl-[[4-(methoxymethyl)phenyl]methyl]azanium;2,2,2-trifluoroacetate;bis(2,2,2-trifluoroacetic acid);N,4,4-trimethylpiperazin-4-ium-1-carboxamide;dibromide;diiodide is sourced from PubChem (CID 159557248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).