tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde

C73H93F4N9O19 — CID 162023326

IUPACtert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)CCCCCCCN.CC(C)(C)OC(=O)CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=CC(F)(F)F
InChIInChI=1S/C25H33N3O6.C21H25N3O6.C13H9FN2O4.C12H25NO2.C2HF3O/c1-25(2,3)34-20(30)12-7-5-4-6-8-15-26-17-11-9-10-16-21(17)24(33)28(23(16)32)18-13-14-19(29)27-22(18)31;25-16-11-10-15(19(28)23-16)24-20(29)13-7-6-8-14(18(13)21(24)30)22-12-5-3-1-2-4-9-17(26)27;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-12(2,3)15-11(14)9-7-5-4-6-8-10-13;3-2(4,5)1-6/h9-11,18,26H,4-8,12-15H2,1-3H3,(H,27,29,31);6-8,15,22H,1-5,9-12H2,(H,26,27)(H,23,25,28);1-3,8H,4-5H2,(H,15,17,18);4-10,13H2,1-3H3;1H
InChIKeyYVAMVBVCKMUPJP-UHFFFAOYSA-N
MW1476.58 g/mol
LogP8.71
Rot. Bonds28

About tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde

tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde (PubChem CID 162023326) has the molecular formula C73H93F4N9O19 and a molecular weight of 1476.58 g/mol. Its IUPAC name is tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Nametert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde
PubChem CID162023326
Molecular FormulaC73H93F4N9O19
Molecular Weight1476.58 g/mol
Exact Mass1475.65
IUPAC Nametert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)CCCCCCCN.CC(C)(C)OC(=O)CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=CC(F)(F)F
InChIInChI=1S/C25H33N3O6.C21H25N3O6.C13H9FN2O4.C12H25NO2.C2HF3O/c1-25(2,3)34-20(30)12-7-5-4-6-8-15-26-17-11-9-10-16-21(17)24(33)28(23(16)32)18-13-14-19(29)27-22(18)31;25-16-11-10-15(19(28)23-16)24-20(29)13-7-6-8-14(18(13)21(24)30)22-12-5-3-1-2-4-9-17(26)27;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-12(2,3)15-11(14)9-7-5-4-6-8-10-13;3-2(4,5)1-6/h9-11,18,26H,4-8,12-15H2,1-3H3,(H,27,29,31);6-8,15,22H,1-5,9-12H2,(H,26,27)(H,23,25,28);1-3,8H,4-5H2,(H,15,17,18);4-10,13H2,1-3H3;1H
InChIKeyYVAMVBVCKMUPJP-UHFFFAOYSA-N
XLogP8.71
TPSA407.70 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001476.58
LogP ≤ 58.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde?
The IUPAC name of tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde (CID 162023326) is tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)CCCCCCCN.CC(C)(C)OC(=O)CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=CC(F)(F)F.
What is the InChIKey of tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde?
The InChIKey is YVAMVBVCKMUPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6.C21H25N3O6.C13H9FN2O4.C12H25NO2.C2HF3O/c1-25(2,3)34-20(30)12-7-5-4-6-8-15-26-17-11-9-10-16-21(17)24(33)28(23(16)32)18-13-14-19(29)27-22(18)31;25-16-11-10-15(19(28)23-16)24-20(29)13-7-6-8-14(18(13)21(24)30)22-12-5-3-1-2-4-9-17(26)27;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-12(2,3)15-11(14)9-7-5-4-6-8-10-13;3-2(4,5)1-6/h9-11,18,26H,4-8,12-15H2,1-3H3,(H,27,29,31);6-8,15,22H,1-5,9-12H2,(H,26,27)(H,23,25,28);1-3,8H,4-5H2,(H,15,17,18);4-10,13H2,1-3H3;1H.
What are the key properties of tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde?
tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde has a molecular weight of 1476.58 g/mol, XLogP of 8.71, 28 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-aminooctanoate;tert-butyl 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoate;8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 162023326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).