tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione

C55H60N8O18 — CID 160918370

About tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione

tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione (PubChem CID 160918370) has the molecular formula C55H60N8O18 and a molecular weight of 1121.12 g/mol. Its IUPAC name is tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
• PubChem CID: 160918370
• Molecular Formula: C55H60N8O18
• Molecular Weight: 1121.12 g/mol
• Exact Mass: 1120.40
• IUPAC Name: tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
• SMILES: CC(C)(C)OC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCC(=O)OC(C)(C)C.Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C19H21N3O6.C15H13N3O6.C14H12N2O4.C7H14O2/c1-19(2,3)28-14(24)9-20-11-6-4-5-10-15(11)18(27)22(17(10)26)12-7-8-13(23)21-16(12)25;19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21;1-7-3-2-4-8-11(7)14(20)16(13(8)19)9-5-6-10(17)15-12(9)18;1-5-6(8)9-7(2,3)4/h4-6,12,20H,7-9H2,1-3H3,(H,21,23,25);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);2-4,9H,5-6H2,1H3,(H,15,17,18);5H2,1-4H3
• InChIKey: SRRZRLHOPQKJRH-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 364.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.12
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione?

The IUPAC name of tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione (CID 160918370) is tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione.

What is the SMILES notation for tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione?

The canonical SMILES for tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione is CC(C)(C)OC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCC(=O)OC(C)(C)C.Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione?

The InChIKey is SRRZRLHOPQKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6.C15H13N3O6.C14H12N2O4.C7H14O2/c1-19(2,3)28-14(24)9-20-11-6-4-5-10-15(11)18(27)22(17(10)26)12-7-8-13(23)21-16(12)25;19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21;1-7-3-2-4-8-11(7)14(20)16(13(8)19)9-5-6-10(17)15-12(9)18;1-5-6(8)9-7(2,3)4/h4-6,12,20H,7-9H2,1-3H3,(H,21,23,25);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);2-4,9H,5-6H2,1H3,(H,15,17,18);5H2,1-4H3.

What are the key properties of tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione?

tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione has a molecular weight of 1121.12 g/mol, XLogP of 2.56, 10 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;tert-butyl propanoate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione is sourced from PubChem (CID 160918370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).