methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate

C18H17N3O7 — CID 10134792

About methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate

methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate (PubChem CID 10134792) has the molecular formula C18H17N3O7 and a molecular weight of 387.35 g/mol. Its IUPAC name is methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate.

Molecular Properties

• Compound Name: methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate
• PubChem CID: 10134792
• Molecular Formula: C18H17N3O7
• Molecular Weight: 387.35 g/mol
• Exact Mass: 387.11
• IUPAC Name: methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate
• SMILES: COC(=O)CCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C18H17N3O7/c1-28-14(24)8-7-12(22)19-10-4-2-3-9-15(10)18(27)21(17(9)26)11-5-6-13(23)20-16(11)25/h2-4,11H,5-8H2,1H3,(H,19,22)(H,20,23,25)
• InChIKey: QXPYMSUOOHGLGJ-UHFFFAOYSA-N
• XLogP: -0.02
• TPSA: 138.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.35
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate?

The IUPAC name of methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate (CID 10134792) is methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate.

What is the SMILES notation for methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate?

The canonical SMILES for methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate?

The InChIKey is QXPYMSUOOHGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O7/c1-28-14(24)8-7-12(22)19-10-4-2-3-9-15(10)18(27)21(17(9)26)11-5-6-13(23)20-16(11)25/h2-4,11H,5-8H2,1H3,(H,19,22)(H,20,23,25).

What are the key properties of methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate?

methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate has a molecular weight of 387.35 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 10134792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).