[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium

C24H39N3O4+2 — CID 7398232

About [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium

[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium (PubChem CID 7398232) has the molecular formula C24H39N3O4+2 and a molecular weight of 433.59 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium.

Molecular Properties

• Compound Name: [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium
• PubChem CID: 7398232
• Molecular Formula: C24H39N3O4+2
• Molecular Weight: 433.59 g/mol
• Exact Mass: 433.29
• IUPAC Name: [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium
• SMILES: COCCC[NH+](Cc1cccn1Cc1cccc(OC)c1)C[C@@H](O)C[NH+]1CCOCC1
• InChI: InChI=1S/C24H37N3O4/c1-29-13-5-9-26(20-23(28)19-25-11-14-31-15-12-25)18-22-7-4-10-27(22)17-21-6-3-8-24(16-21)30-2/h3-4,6-8,10,16,23,28H,5,9,11-15,17-20H2,1-2H3/p+2/t23-/m0/s1
• InChIKey: CJVAWWXRQLLWOF-QHCPKHFHSA-P
• XLogP: -0.76
• TPSA: 61.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.59
LogP ≤ 5	-0.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium?

The IUPAC name of [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium (CID 7398232) is [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium.

What is the SMILES notation for [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium?

The canonical SMILES for [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium is COCCC[NH+](Cc1cccn1Cc1cccc(OC)c1)C[C@@H](O)C[NH+]1CCOCC1.

What is the InChIKey of [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium?

The InChIKey is CJVAWWXRQLLWOF-QHCPKHFHSA-P. The full InChI is InChI=1S/C24H37N3O4/c1-29-13-5-9-26(20-23(28)19-25-11-14-31-15-12-25)18-22-7-4-10-27(22)17-21-6-3-8-24(16-21)30-2/h3-4,6-8,10,16,23,28H,5,9,11-15,17-20H2,1-2H3/p+2/t23-/m0/s1.

What are the key properties of [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium?

[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium has a molecular weight of 433.59 g/mol, XLogP of -0.76, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(3-methoxypropyl)azanium is sourced from PubChem (CID 7398232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).