3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid

C20H31F3N4O10 — CID 154725295

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 154725295) has the molecular formula C20H31F3N4O10 and a molecular weight of 544.48 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid
• PubChem CID: 154725295
• Molecular Formula: C20H31F3N4O10
• Molecular Weight: 544.48 g/mol
• Exact Mass: 544.20
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid
• SMILES: NNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H30N4O8.C2HF3O2/c19-21-16(24)4-7-27-9-11-29-13-14-30-12-10-28-8-5-20-15(23)3-6-22-17(25)1-2-18(22)26;3-2(4,5)1(6)7/h1-2H,3-14,19H2,(H,20,23)(H,21,24);(H,6,7)
• InChIKey: ALBUHSCPBLMTQT-UHFFFAOYSA-N
• XLogP: -1.50
• TPSA: 195.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.48
LogP ≤ 5	-1.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid (CID 154725295) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid is NNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid?

The InChIKey is ALBUHSCPBLMTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O8.C2HF3O2/c19-21-16(24)4-7-27-9-11-29-13-14-30-12-10-28-8-5-20-15(23)3-6-22-17(25)1-2-18(22)26;3-2(4,5)1(6)7/h1-2H,3-14,19H2,(H,20,23)(H,21,24);(H,6,7).

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid?

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 544.48 g/mol, XLogP of -1.50, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154725295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).