3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid

C20H22N2O10S — CID 153351501

About 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid

3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid (PubChem CID 153351501) has the molecular formula C20H22N2O10S and a molecular weight of 482.47 g/mol. Its IUPAC name is 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid
• PubChem CID: 153351501
• Molecular Formula: C20H22N2O10S
• Molecular Weight: 482.47 g/mol
• Exact Mass: 482.10
• IUPAC Name: 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid
• SMILES: O=C(O)CCOCCOCCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C20H22N2O10S/c23-15-5-4-13(18(26)21-15)22-19(27)12-2-1-3-14(17(12)20(22)28)33(29,30)11-10-32-9-8-31-7-6-16(24)25/h1-3,13H,4-11H2,(H,24,25)(H,21,23,26)
• InChIKey: LSEJYNYFNOVIOX-UHFFFAOYSA-N
• XLogP: -0.63
• TPSA: 173.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.47
LogP ≤ 5	-0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid?

The IUPAC name of 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid (CID 153351501) is 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid.

What is the SMILES notation for 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid?

The canonical SMILES for 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid?

The InChIKey is LSEJYNYFNOVIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O10S/c23-15-5-4-13(18(26)21-15)22-19(27)12-2-1-3-14(17(12)20(22)28)33(29,30)11-10-32-9-8-31-7-6-16(24)25/h1-3,13H,4-11H2,(H,24,25)(H,21,23,26).

What are the key properties of 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid?

3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid has a molecular weight of 482.47 g/mol, XLogP of -0.63, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonylethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 153351501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).