About tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate
tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate (PubChem CID 165018078) has the molecular formula C141H174Cl8F6N10O33
and a molecular weight of 2934.59 g/mol. Its IUPAC name is tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate (CID 165018078) is tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate is CC(C)(CCC(=O)O)CC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(F)c2)c2n1CCC2.CC(C)(CCC(=O)OC(C)(C)C)CC(=O)C(=O)c1c(Cl)c(C(=O)Cl)c2n1CCC2.CC(C)(CCC(=O)OC(C)(C)C)CC(=O)C(=O)c1c(Cl)c(C(=O)Nc2ccc(F)c(F)c2)c2n1CCC2.CC(C)(CCC(=O)OC(C)(C)C)CC(=O)C(=O)c1c(Cl)c(C(=O)O)c2n1CCC2.CC(C)(N)CCC(=O)OC(C)(C)C.COC(=O)c1c(Cl)c(C(=O)C(=O)CC(C)(C)CCC(=O)OC(C)(C)C)n2c1CCC2.COC(=O)c1c(Cl)c(C(=O)C(=O)Cl)n2c1CCC2.Nc1ccc(F)c(F)c1.
What is the InChIKey of tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate?
The InChIKey is KSWRWPMXCPCAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClF2N2O5.C23H23ClF2N2O5.C22H30ClNO6.C21H27Cl2NO5.C21H28ClNO6.C11H9Cl2NO4.C10H21NO2.C6H5F2N/c1-26(2,3)37-20(34)10-11-27(4,5)14-19(33)24(35)23-22(28)21(18-7-6-12-32(18)23)25(36)31-15-8-9-16(29)17(30)13-15;1-23(2,8-7-17(30)31)11-16(29)21(32)20-19(24)18(15-4-3-9-28(15)20)22(33)27-12-5-6-13(25)14(26)10-12;1-21(2,3)30-15(26)9-10-22(4,5)12-14(25)19(27)18-17(23)16(20(28)29-6)13-8-7-11-24(13)18;1-20(2,3)29-14(26)8-9-21(4,5)11-13(25)18(27)17-16(22)15(19(23)28)12-7-6-10-24(12)17;1-20(2,3)29-14(25)8-9-21(4,5)11-13(24)18(26)17-16(22)15(19(27)28)12-7-6-10-23(12)17;1-18-11(17)6-5-3-2-4-14(5)8(7(6)12)9(15)10(13)16;1-9(2,3)13-8(12)6-7-10(4,5)11;7-5-2-1-4(9)3-6(5)8/h8-9,13H,6-7,10-12,14H2,1-5H3,(H,31,36);5-6,10H,3-4,7-9,11H2,1-2H3,(H,27,33)(H,30,31);7-12H2,1-6H3;6-11H2,1-5H3;6-11H2,1-5H3,(H,27,28);2-4H2,1H3;6-7,11H2,1-5H3;1-3H,9H2.
What are the key properties of tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate?
tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate has a molecular weight of 2934.59 g/mol, XLogP of 28.77, 48 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-methylpentanoate;tert-butyl 7-(1-carbonochloridoyl-2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-4,4-dimethyl-6,7-dioxoheptanoate;tert-butyl 7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoate;7-[2-chloro-1-[(3,4-difluorophenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-4,4-dimethyl-6,7-dioxoheptanoic acid;2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3,4-difluoroaniline;methyl 2-chloro-3-(2-chloro-2-oxoacetyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylate;methyl 2-chloro-3-[4,4-dimethyl-7-[(2-methylpropan-2-yl)oxy]-2,7-dioxoheptanoyl]-6,7-dihydro-5H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 165018078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).