tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

C141H145F4N21O32S2 — CID 158845396

About tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide

tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 158845396) has the molecular formula C141H145F4N21O32S2 and a molecular weight of 2785.95 g/mol. Its IUPAC name is tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 158845396
• Molecular Formula: C141H145F4N21O32S2
• Molecular Weight: 2785.95 g/mol
• Exact Mass: 2783.97
• IUPAC Name: tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CC(C)(C)OC(=O)CCOCCN.CC(C)(C)OC(=O)CCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3ccc(N4CCN(C(=O)C(F)(F)F)CC4)cc3)cc2C1=O.O=C(O)CCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCCOCCC(=O)N4CCN(c5ccc(-c6ccc7c(c6)C(=O)N(C(C(=O)Nc6nccs6)c6ccccc6)C7)cc5)CC4)c3C2=O)C(=O)C1
• InChI: InChI=1S/C48H45N7O8S.C31H26F3N5O3S.C22H27N3O7.C18H19N3O7.C13H9FN2O4.C9H19NO3/c56-35-15-16-39(40(57)28-35)55-46(61)36-7-4-8-38(42(36)47(55)62)49-18-25-63-24-17-41(58)53-22-20-52(21-23-53)34-13-11-30(12-14-34)32-9-10-33-29-54(45(60)37(33)27-32)43(31-5-2-1-3-6-31)44(59)51-48-50-19-26-64-48;32-31(33,34)29(42)38-15-13-37(14-16-38)24-10-8-20(9-11-24)22-6-7-23-19-39(28(41)25(23)18-22)26(21-4-2-1-3-5-21)27(40)36-30-35-12-17-43-30;1-22(2,3)32-17(27)9-11-31-12-10-23-14-6-4-5-13-18(14)21(30)25(20(13)29)15-7-8-16(26)24-19(15)28;22-13-5-4-12(16(25)20-13)21-17(26)10-2-1-3-11(15(10)18(21)27)19-7-9-28-8-6-14(23)24;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(2,3)13-8(11)4-6-12-7-5-10/h1-14,19,26-27,39,43,49H,15-18,20-25,28-29H2,(H,50,51,59);1-12,17-18,26H,13-16,19H2,(H,35,36,40);4-6,15,23H,7-12H2,1-3H3,(H,24,26,28);1-3,12,19H,4-9H2,(H,23,24)(H,20,22,25);1-3,8H,4-5H2,(H,15,17,18);4-7,10H2,1-3H3
• InChIKey: IYTNBZPSQLQORO-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 682.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 42
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2785.95
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 158845396) is tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is CC(C)(C)OC(=O)CCOCCN.CC(C)(C)OC(=O)CCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(Nc1nccs1)C(c1ccccc1)N1Cc2ccc(-c3ccc(N4CCN(C(=O)C(F)(F)F)CC4)cc3)cc2C1=O.O=C(O)CCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCCOCCC(=O)N4CCN(c5ccc(-c6ccc7c(c6)C(=O)N(C(C(=O)Nc6nccs6)c6ccccc6)C7)cc5)CC4)c3C2=O)C(=O)C1.

What is the InChIKey of tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is IYTNBZPSQLQORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H45N7O8S.C31H26F3N5O3S.C22H27N3O7.C18H19N3O7.C13H9FN2O4.C9H19NO3/c56-35-15-16-39(40(57)28-35)55-46(61)36-7-4-8-38(42(36)47(55)62)49-18-25-63-24-17-41(58)53-22-20-52(21-23-53)34-13-11-30(12-14-34)32-9-10-33-29-54(45(60)37(33)27-32)43(31-5-2-1-3-6-31)44(59)51-48-50-19-26-64-48;32-31(33,34)29(42)38-15-13-37(14-16-38)24-10-8-20(9-11-24)22-6-7-23-19-39(28(41)25(23)18-22)26(21-4-2-1-3-5-21)27(40)36-30-35-12-17-43-30;1-22(2,3)32-17(27)9-11-31-12-10-23-14-6-4-5-13-18(14)21(30)25(20(13)29)15-7-8-16(26)24-19(15)28;22-13-5-4-12(16(25)20-13)21-17(26)10-2-1-3-11(15(10)18(21)27)19-7-9-28-8-6-14(23)24;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(2,3)13-8(11)4-6-12-7-5-10/h1-14,19,26-27,39,43,49H,15-18,20-25,28-29H2,(H,50,51,59);1-12,17-18,26H,13-16,19H2,(H,35,36,40);4-6,15,23H,7-12H2,1-3H3,(H,24,26,28);1-3,12,19H,4-9H2,(H,23,24)(H,20,22,25);1-3,8H,4-5H2,(H,15,17,18);4-7,10H2,1-3H3.

What are the key properties of tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?

tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 2785.95 g/mol, XLogP of 13.12, 42 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;2-[5-[4-[4-[3-[2-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-[3-oxo-5-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 158845396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).