(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate

C25H42N4O12 — CID 51340978

About (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate (PubChem CID 51340978) has the molecular formula C25H42N4O12 and a molecular weight of 590.63 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
• PubChem CID: 51340978
• Molecular Formula: C25H42N4O12
• Molecular Weight: 590.63 g/mol
• Exact Mass: 590.28
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
• SMILES: CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C25H42N4O12/c1-25(2,3)40-24(35)28-27-20(31)9-11-36-13-15-38-17-18-39-16-14-37-12-10-26-19(30)5-4-6-23(34)41-29-21(32)7-8-22(29)33/h4-18H2,1-3H3,(H,26,30)(H,27,31)(H,28,35)
• InChIKey: UJNGPSDLLFWRTE-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 197.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.63
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate (CID 51340978) is (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate is CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate?

The InChIKey is UJNGPSDLLFWRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O12/c1-25(2,3)40-24(35)28-27-20(31)9-11-36-13-15-38-17-18-39-16-14-37-12-10-26-19(30)5-4-6-23(34)41-29-21(32)7-8-22(29)33/h4-18H2,1-3H3,(H,26,30)(H,27,31)(H,28,35).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate?

(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate has a molecular weight of 590.63 g/mol, XLogP of -0.11, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate is sourced from PubChem (CID 51340978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).