About 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid
2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid (PubChem CID 157447920) has the molecular formula C136H207N9O43S
and a molecular weight of 2688.24 g/mol. Its IUPAC name is 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid.
Frequently Asked Questions
What is the IUPAC name of 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid?
The IUPAC name of 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid (CID 157447920) is 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid.
What is the SMILES notation for 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid?
The canonical SMILES for 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid is CCOC(=O)/C=C/c1[nH]c(C(=O)OC(C)(C)C)c(C)c1C(=O)OCC.CCOC(=O)CCc1[nH]c(C(=O)OC(C)(C)C)c(C)c1C(=O)OCC.CCOC(=O)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C.CCOC(=O)c1c(C=O)[nH]c(C(=O)OC(C)(C)C)c1C.CCOC(=O)c1c(CCC(=O)O)[nH]c(C(=O)OC(C)(C)C)c1C.CCOC(=O)c1c(CCCCCCN(CC)CC)[nH]c(C(=O)OC(C)(C)C)c1C.CCOC(=O)c1c(CCCO)[nH]c(C(=O)OC(C)(C)C)c1C.CCOC(=O)c1c(CCCOS(C)(=O)=O)[nH]c(C(=O)OC(C)(C)C)c1C.
What is the InChIKey of 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid?
The InChIKey is BSLGCPWZPHEVDQ-ZZCLNQJOSA-N. The full InChI is InChI=1S/C23H40N2O4.C18H27NO6.C18H25NO6.C17H27NO7S.C16H23NO6.C16H25NO5.C14H19NO5.C14H21NO4/c1-8-25(9-2)16-14-12-11-13-15-18-19(21(26)28-10-3)17(4)20(24-18)22(27)29-23(5,6)7;2*1-7-23-13(20)10-9-12-14(16(21)24-8-2)11(3)15(19-12)17(22)25-18(4,5)6;1-7-23-15(19)13-11(2)14(16(20)25-17(3,4)5)18-12(13)9-8-10-24-26(6,21)22;1-6-22-14(20)12-9(2)13(15(21)23-16(3,4)5)17-10(12)7-8-11(18)19;1-6-21-14(19)12-10(2)13(15(20)22-16(3,4)5)17-11(12)8-7-9-18;1-6-19-12(17)10-8(2)11(15-9(10)7-16)13(18)20-14(3,4)5;1-7-18-12(16)10-8(2)11(15-9(10)3)13(17)19-14(4,5)6/h24H,8-16H2,1-7H3;19H,7-10H2,1-6H3;9-10,19H,7-8H2,1-6H3;18H,7-10H2,1-6H3;17H,6-8H2,1-5H3,(H,18,19);17-18H,6-9H2,1-5H3;7,15H,6H2,1-5H3;15H,7H2,1-6H3/b;;10-9+;;;;;.
What are the key properties of 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid?
2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid has a molecular weight of 2688.24 g/mol, XLogP of 23.13, 52 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 4-O-ethyl 5-[6-(diethylamino)hexyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 5-(3-hydroxypropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;2-O-tert-butyl 4-O-ethyl 3-methyl-5-(3-methylsulfonyloxypropyl)-1H-pyrrole-2,4-dicarboxylate;3-[3-ethoxycarbonyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]propanoic acid is sourced from PubChem (CID 157447920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).