8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate

C153H201BrCl3I4N9O22Si — CID 158317053

IUPAC8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
SMILESC=Cc1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1.COC(=O)C1=CCC2CCC1N2C.COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C(=O)OC(C)(C)C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C(=O)OCC(Cl)(Cl)Cl.COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C.COC(=O)C1C(c2ccc([Si](C)(C)C)cc2)CC2CCC1N2C.COC(=O)C1C2CCC(CC1c1ccc(C)c(I)c1)N2
InChIInChI=1S/C21H28INO4.C19H21Cl3INO4.C19H29NO2Si.C18H23NO2.C17H22INO2.C17H23NO2.C16H20BrNO2.C16H20INO2.C10H15NO2/c1-12-6-7-13(10-16(12)22)15-11-14-8-9-17(18(15)19(24)26-5)23(14)20(25)27-21(2,3)4;1-10-3-4-11(7-14(10)23)13-8-12-5-6-15(16(13)17(25)27-2)24(12)18(26)28-9-19(20,21)22;1-20-14-8-11-17(20)18(19(21)22-2)16(12-14)13-6-9-15(10-7-13)23(3,4)5;1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3;1-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19(12)2)16(13)17(20)21-3;1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3;1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10;1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2;1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h6-7,10,14-15,17-18H,8-9,11H2,1-5H3;3-4,7,12-13,15-16H,5-6,8-9H2,1-2H3;6-7,9-10,14,16-18H,8,11-12H2,1-5H3;4-8,14-17H,1,9-11H2,2-3H3;4-5,8,12-13,15-16H,6-7,9H2,1-3H3;4-7,13-16H,8-10H2,1-3H3;3-6,12-15H,7-9H2,1-2H3;3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3;5,7,9H,3-4,6H2,1-2H3
InChIKeyGOJQVXUVCPHVES-UHFFFAOYSA-N
MW3240.30 g/mol
LogP29.11
Rot. Bonds20

About 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate

8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate (PubChem CID 158317053) has the molecular formula C153H201BrCl3I4N9O22Si and a molecular weight of 3240.30 g/mol. Its IUPAC name is 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
PubChem CID158317053
Molecular FormulaC153H201BrCl3I4N9O22Si
Molecular Weight3240.30 g/mol
Exact Mass3235.91
IUPAC Name8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
SMILESC=Cc1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1.COC(=O)C1=CCC2CCC1N2C.COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C(=O)OC(C)(C)C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C(=O)OCC(Cl)(Cl)Cl.COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C.COC(=O)C1C(c2ccc([Si](C)(C)C)cc2)CC2CCC1N2C.COC(=O)C1C2CCC(CC1c1ccc(C)c(I)c1)N2
InChIInChI=1S/C21H28INO4.C19H21Cl3INO4.C19H29NO2Si.C18H23NO2.C17H22INO2.C17H23NO2.C16H20BrNO2.C16H20INO2.C10H15NO2/c1-12-6-7-13(10-16(12)22)15-11-14-8-9-17(18(15)19(24)26-5)23(14)20(25)27-21(2,3)4;1-10-3-4-11(7-14(10)23)13-8-12-5-6-15(16(13)17(25)27-2)24(12)18(26)28-9-19(20,21)22;1-20-14-8-11-17(20)18(19(21)22-2)16(12-14)13-6-9-15(10-7-13)23(3,4)5;1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3;1-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19(12)2)16(13)17(20)21-3;1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3;1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10;1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2;1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h6-7,10,14-15,17-18H,8-9,11H2,1-5H3;3-4,7,12-13,15-16H,5-6,8-9H2,1-2H3;6-7,9-10,14,16-18H,8,11-12H2,1-5H3;4-8,14-17H,1,9-11H2,2-3H3;4-5,8,12-13,15-16H,6-7,9H2,1-3H3;4-7,13-16H,8-10H2,1-3H3;3-6,12-15H,7-9H2,1-2H3;3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3;5,7,9H,3-4,6H2,1-2H3
InChIKeyGOJQVXUVCPHVES-UHFFFAOYSA-N
XLogP29.11
TPSA327.25 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003240.30
LogP ≤ 529.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate (CID 158317053) is 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate.
What is the SMILES notation for 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate is C=Cc1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1.COC(=O)C1=CCC2CCC1N2C.COC(=O)C1C(c2ccc(Br)cc2)CC2CCC1N2C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C(=O)OC(C)(C)C.COC(=O)C1C(c2ccc(C)c(I)c2)CC2CCC1N2C(=O)OCC(Cl)(Cl)Cl.COC(=O)C1C(c2ccc(C)cc2)CC2CCC1N2C.COC(=O)C1C(c2ccc([Si](C)(C)C)cc2)CC2CCC1N2C.COC(=O)C1C2CCC(CC1c1ccc(C)c(I)c1)N2.
What is the InChIKey of 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
The InChIKey is GOJQVXUVCPHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28INO4.C19H21Cl3INO4.C19H29NO2Si.C18H23NO2.C17H22INO2.C17H23NO2.C16H20BrNO2.C16H20INO2.C10H15NO2/c1-12-6-7-13(10-16(12)22)15-11-14-8-9-17(18(15)19(24)26-5)23(14)20(25)27-21(2,3)4;1-10-3-4-11(7-14(10)23)13-8-12-5-6-15(16(13)17(25)27-2)24(12)18(26)28-9-19(20,21)22;1-20-14-8-11-17(20)18(19(21)22-2)16(12-14)13-6-9-15(10-7-13)23(3,4)5;1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3;1-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19(12)2)16(13)17(20)21-3;1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3;1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10;1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2;1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h6-7,10,14-15,17-18H,8-9,11H2,1-5H3;3-4,7,12-13,15-16H,5-6,8-9H2,1-2H3;6-7,9-10,14,16-18H,8,11-12H2,1-5H3;4-8,14-17H,1,9-11H2,2-3H3;4-5,8,12-13,15-16H,6-7,9H2,1-3H3;4-7,13-16H,8-10H2,1-3H3;3-6,12-15H,7-9H2,1-2H3;3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3;5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate?
8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate has a molecular weight of 3240.30 g/mol, XLogP of 29.11, 20 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 2-O-methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate;methyl 3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(4-ethenylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate;methyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;methyl 8-methyl-3-(4-trimethylsilylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate;2-O-methyl 8-O-(2,2,2-trichloroethyl) 3-(3-iodo-4-methylphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate is sourced from PubChem (CID 158317053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).