butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione

C26H40N5O9+ — CID 158037053

About butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione

butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione (PubChem CID 158037053) has the molecular formula C26H40N5O9+ and a molecular weight of 566.63 g/mol. Its IUPAC name is butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
• PubChem CID: 158037053
• Molecular Formula: C26H40N5O9+
• Molecular Weight: 566.63 g/mol
• Exact Mass: 566.28
• IUPAC Name: butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
• SMILES: CCCCNC(=O)CCN1C(=O)C=CC1=O.CCCC[NH3+].O=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1
• InChI: InChI=1S/C11H16N2O3.C7H7NO4.C4H5NO2.C4H11N/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3;1-2-3-4-5/h4-5H,2-3,6-8H2,1H3,(H,12,14);1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7);2-5H2,1H3/p+1
• InChIKey: FHWNEZPFUZPKMH-UHFFFAOYSA-O
• XLogP: -0.94
• TPSA: 214.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.63
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	4
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 butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?

The IUPAC name of butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione (CID 158037053) is butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione.

What is the SMILES notation for butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?

The canonical SMILES for butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione is CCCCNC(=O)CCN1C(=O)C=CC1=O.CCCC[NH3+].O=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1.

What is the InChIKey of butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?

The InChIKey is FHWNEZPFUZPKMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2O3.C7H7NO4.C4H5NO2.C4H11N/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16;9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3;1-2-3-4-5/h4-5H,2-3,6-8H2,1H3,(H,12,14);1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7);2-5H2,1H3/p+1.

What are the key properties of butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?

butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione has a molecular weight of 566.63 g/mol, XLogP of -0.94, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for butylazanium;N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 158037053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).