2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid

C25H32N4O7 — CID 177161242

About 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid

2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid (PubChem CID 177161242) has the molecular formula C25H32N4O7 and a molecular weight of 500.55 g/mol. Its IUPAC name is 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid.

Molecular Properties

• Compound Name: 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid
• PubChem CID: 177161242
• Molecular Formula: C25H32N4O7
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.23
• IUPAC Name: 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid
• SMILES: O=C(O)COC1CCCN(CCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C25H32N4O7/c30-20-10-9-19(23(33)27-20)29-24(34)17-7-4-8-18(22(17)25(29)35)26-11-2-1-3-12-28-13-5-6-16(14-28)36-15-21(31)32/h4,7-8,16,19,26H,1-3,5-6,9-15H2,(H,31,32)(H,27,30,33)
• InChIKey: UOYLRCHGXXMSMS-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 145.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid?

The IUPAC name of 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid (CID 177161242) is 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid.

What is the SMILES notation for 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid?

The canonical SMILES for 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid is O=C(O)COC1CCCN(CCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid?

The InChIKey is UOYLRCHGXXMSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O7/c30-20-10-9-19(23(33)27-20)29-24(34)17-7-4-8-18(22(17)25(29)35)26-11-2-1-3-12-28-13-5-6-16(14-28)36-15-21(31)32/h4,7-8,16,19,26H,1-3,5-6,9-15H2,(H,31,32)(H,27,30,33).

What are the key properties of 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid?

2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid has a molecular weight of 500.55 g/mol, XLogP of 1.24, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-3-yl]oxyacetic acid is sourced from PubChem (CID 177161242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).