2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate

C138H266N18O54P4S4 — CID 157167691

IUPAC2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)[O-].C=C(C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-].C=C(C)C(=O)NCCOP(=O)([O-])OCCC[N+](C)(C)C.C=C(C)C(=O)NCCOP(=O)([O-])OCC[N+](C)(C)C.C=C(C)C(=O)NCC[N+](C)(C)CC(=O)[O-].C=C(C)C(=O)NCC[N+](C)(C)CCC(=O)[O-].C=C(C)C(=O)OCCC[N+](C)(C)CCCCS(=O)(=O)[O-].C=C(C)C(=O)OCCC[N+](C)(C)CCCS(=O)(=O)[O-].C=C(C)C(=O)OCCOP(=O)([O-])OCCC[N+](C)(C)C.C=C(C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C.C=C(C)C(=O)OCC[N+](C)(C)CC(=O)[O-].C=C(C)C(=O)OCC[N+](C)(C)CCC(=O)[O-]
InChIInChI=1S/C13H26N2O4S.C13H25NO5S.C12H25N2O5P.C12H24N2O4S.C12H24NO6P.C12H23NO5S.C11H23N2O5P.C11H20N2O3.C11H22NO6P.C11H19NO4.C10H18N2O3.C10H17NO4/c1-12(2)13(16)14-8-7-10-15(3,4)9-5-6-11-20(17,18)19;1-12(2)13(15)19-10-7-9-14(3,4)8-5-6-11-20(16,17)18;1-11(2)12(15)13-7-10-19-20(16,17)18-9-6-8-14(3,4)5;1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18;1-11(2)12(14)17-9-10-19-20(15,16)18-8-6-7-13(3,4)5;1-11(2)12(14)18-9-5-7-13(3,4)8-6-10-19(15,16)17;1-10(2)11(14)12-6-8-17-19(15,16)18-9-7-13(3,4)5;1-9(2)11(16)12-6-8-13(3,4)7-5-10(14)15;1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5;1-9(2)11(15)16-8-7-12(3,4)6-5-10(13)14;1-8(2)10(15)11-5-6-12(3,4)7-9(13)14;1-8(2)10(14)15-6-5-11(3,4)7-9(12)13/h1,5-11H2,2-4H3,(H-,14,16,17,18,19);1,5-11H2,2-4H3;1,6-10H2,2-5H3,(H-,13,15,16,17);1,5-10H2,2-4H3,(H-,13,15,16,17,18);1,6-10H2,2-5H3;1,5-10H2,2-4H3;1,6-9H2,2-5H3,(H-,12,14,15,16);1,5-8H2,2-4H3,(H-,12,14,15,16);1,6-9H2,2-5H3;1,5-8H2,2-4H3;1,5-7H2,2-4H3,(H-,11,13,14,15);1,5-7H2,2-4H3
InChIKeyANCIRURCSHDKQK-UHFFFAOYSA-N
MW3293.88 g/mol
LogP-1.21
Rot. Bonds102

About 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate

2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate (PubChem CID 157167691) has the molecular formula C138H266N18O54P4S4 and a molecular weight of 3293.88 g/mol. Its IUPAC name is 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate.

Molecular Properties

Compound Name2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate
PubChem CID157167691
Molecular FormulaC138H266N18O54P4S4
Molecular Weight3293.88 g/mol
Exact Mass3291.65
IUPAC Name2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)[O-].C=C(C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-].C=C(C)C(=O)NCCOP(=O)([O-])OCCC[N+](C)(C)C.C=C(C)C(=O)NCCOP(=O)([O-])OCC[N+](C)(C)C.C=C(C)C(=O)NCC[N+](C)(C)CC(=O)[O-].C=C(C)C(=O)NCC[N+](C)(C)CCC(=O)[O-].C=C(C)C(=O)OCCC[N+](C)(C)CCCCS(=O)(=O)[O-].C=C(C)C(=O)OCCC[N+](C)(C)CCCS(=O)(=O)[O-].C=C(C)C(=O)OCCOP(=O)([O-])OCCC[N+](C)(C)C.C=C(C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C.C=C(C)C(=O)OCC[N+](C)(C)CC(=O)[O-].C=C(C)C(=O)OCC[N+](C)(C)CCC(=O)[O-]
InChIInChI=1S/C13H26N2O4S.C13H25NO5S.C12H25N2O5P.C12H24N2O4S.C12H24NO6P.C12H23NO5S.C11H23N2O5P.C11H20N2O3.C11H22NO6P.C11H19NO4.C10H18N2O3.C10H17NO4/c1-12(2)13(16)14-8-7-10-15(3,4)9-5-6-11-20(17,18)19;1-12(2)13(15)19-10-7-9-14(3,4)8-5-6-11-20(16,17)18;1-11(2)12(15)13-7-10-19-20(16,17)18-9-6-8-14(3,4)5;1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18;1-11(2)12(14)17-9-10-19-20(15,16)18-8-6-7-13(3,4)5;1-11(2)12(14)18-9-5-7-13(3,4)8-6-10-19(15,16)17;1-10(2)11(14)12-6-8-17-19(15,16)18-9-7-13(3,4)5;1-9(2)11(16)12-6-8-13(3,4)7-5-10(14)15;1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5;1-9(2)11(15)16-8-7-12(3,4)6-5-10(13)14;1-8(2)10(15)11-5-6-12(3,4)7-9(13)14;1-8(2)10(14)15-6-5-11(3,4)7-9(12)13/h1,5-11H2,2-4H3,(H-,14,16,17,18,19);1,5-11H2,2-4H3;1,6-10H2,2-5H3,(H-,13,15,16,17);1,5-10H2,2-4H3,(H-,13,15,16,17,18);1,6-10H2,2-5H3;1,5-10H2,2-4H3;1,6-9H2,2-5H3,(H-,12,14,15,16);1,5-8H2,2-4H3,(H-,12,14,15,16);1,6-9H2,2-5H3;1,5-8H2,2-4H3;1,5-7H2,2-4H3,(H-,11,13,14,15);1,5-7H2,2-4H3
InChIKeyANCIRURCSHDKQK-UHFFFAOYSA-N
XLogP-1.21
TPSA956.08 Ų
H-Bond Donors6
H-Bond Acceptors54
Rotatable Bonds102
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003293.88
LogP ≤ 5-1.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate?
The IUPAC name of 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate (CID 157167691) is 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate.
What is the SMILES notation for 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate?
The canonical SMILES for 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate is C=C(C)C(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)[O-].C=C(C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-].C=C(C)C(=O)NCCOP(=O)([O-])OCCC[N+](C)(C)C.C=C(C)C(=O)NCCOP(=O)([O-])OCC[N+](C)(C)C.C=C(C)C(=O)NCC[N+](C)(C)CC(=O)[O-].C=C(C)C(=O)NCC[N+](C)(C)CCC(=O)[O-].C=C(C)C(=O)OCCC[N+](C)(C)CCCCS(=O)(=O)[O-].C=C(C)C(=O)OCCC[N+](C)(C)CCCS(=O)(=O)[O-].C=C(C)C(=O)OCCOP(=O)([O-])OCCC[N+](C)(C)C.C=C(C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C.C=C(C)C(=O)OCC[N+](C)(C)CC(=O)[O-].C=C(C)C(=O)OCC[N+](C)(C)CCC(=O)[O-].
What is the InChIKey of 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate?
The InChIKey is ANCIRURCSHDKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S.C13H25NO5S.C12H25N2O5P.C12H24N2O4S.C12H24NO6P.C12H23NO5S.C11H23N2O5P.C11H20N2O3.C11H22NO6P.C11H19NO4.C10H18N2O3.C10H17NO4/c1-12(2)13(16)14-8-7-10-15(3,4)9-5-6-11-20(17,18)19;1-12(2)13(15)19-10-7-9-14(3,4)8-5-6-11-20(16,17)18;1-11(2)12(15)13-7-10-19-20(16,17)18-9-6-8-14(3,4)5;1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18;1-11(2)12(14)17-9-10-19-20(15,16)18-8-6-7-13(3,4)5;1-11(2)12(14)18-9-5-7-13(3,4)8-6-10-19(15,16)17;1-10(2)11(14)12-6-8-17-19(15,16)18-9-7-13(3,4)5;1-9(2)11(16)12-6-8-13(3,4)7-5-10(14)15;1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5;1-9(2)11(15)16-8-7-12(3,4)6-5-10(13)14;1-8(2)10(15)11-5-6-12(3,4)7-9(13)14;1-8(2)10(14)15-6-5-11(3,4)7-9(12)13/h1,5-11H2,2-4H3,(H-,14,16,17,18,19);1,5-11H2,2-4H3;1,6-10H2,2-5H3,(H-,13,15,16,17);1,5-10H2,2-4H3,(H-,13,15,16,17,18);1,6-10H2,2-5H3;1,5-10H2,2-4H3;1,6-9H2,2-5H3,(H-,12,14,15,16);1,5-8H2,2-4H3,(H-,12,14,15,16);1,6-9H2,2-5H3;1,5-8H2,2-4H3;1,5-7H2,2-4H3,(H-,11,13,14,15);1,5-7H2,2-4H3.
What are the key properties of 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate?
2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate has a molecular weight of 3293.88 g/mol, XLogP of -1.21, 102 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate;2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetate;3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propanoate;4-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]butane-1-sulfonate;3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azaniumyl]propane-1-sulfonate;2-(2-methylprop-2-enoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoylamino)ethyl 3-(trimethylazaniumyl)propyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate;2-(2-methylprop-2-enoyloxy)ethyl 3-(trimethylazaniumyl)propyl phosphate is sourced from PubChem (CID 157167691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).