5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid

C18H20N2O7 — CID 154672093

About 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid

5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid (PubChem CID 154672093) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid.

Molecular Properties

• Compound Name: 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid
• PubChem CID: 154672093
• Molecular Formula: C18H20N2O7
• Molecular Weight: 376.37 g/mol
• Exact Mass: 376.13
• IUPAC Name: 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid
• SMILES: O=C(O)CCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2O
• InChI: InChI=1S/C18H20N2O7/c21-13-8-7-11(16(24)19-13)20-17(25)10-4-3-5-12(15(10)18(20)26)27-9-2-1-6-14(22)23/h3-5,11,17,25H,1-2,6-9H2,(H,22,23)(H,19,21,24)
• InChIKey: JCUGAOXKVROWAI-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 133.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.37
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid?

The IUPAC name of 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid (CID 154672093) is 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid.

What is the SMILES notation for 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid?

The canonical SMILES for 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid is O=C(O)CCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2O.

What is the InChIKey of 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid?

The InChIKey is JCUGAOXKVROWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c21-13-8-7-11(16(24)19-13)20-17(25)10-4-3-5-12(15(10)18(20)26)27-9-2-1-6-14(22)23/h3-5,11,17,25H,1-2,6-9H2,(H,22,23)(H,19,21,24).

What are the key properties of 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid?

5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid has a molecular weight of 376.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]oxy]pentanoic acid is sourced from PubChem (CID 154672093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).