Glycopyrronium

C₁₉H₂₈NO₃+ — CID 3494

About Glycopyrronium

Glycopyrronium (PubChem CID 3494) has the molecular formula C₁₉H₂₈NO₃+ and a molecular weight of 318.44 g/mol. Its IUPAC name is (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate.

Molecular Properties

• Compound Name: Glycopyrronium
• PubChem CID: 3494
• Molecular Formula: C₁₉H₂₈NO₃+
• Molecular Weight: 318.44 g/mol
• Exact Mass: 318.21
• IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
• SMILES: C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1
• InChI: InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1
• InChIKey: ANGKOCUUWGHLCE-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.44
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Glycopyrronium?

The IUPAC name of Glycopyrronium (CID 3494) is (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate.

What is the SMILES notation for Glycopyrronium?

The canonical SMILES for Glycopyrronium is C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.

What is the InChIKey of Glycopyrronium?

The InChIKey is ANGKOCUUWGHLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1.

What are the key properties of Glycopyrronium?

Glycopyrronium has a molecular weight of 318.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Glycopyrronium is sourced from PubChem (CID 3494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3494 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4302 — approved-drug record (CC BY-SA 4.0)

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