cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium

C26H33N2O3+ — CID 7262232

About cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium

cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium (PubChem CID 7262232) has the molecular formula C26H33N2O3+ and a molecular weight of 421.56 g/mol. Its IUPAC name is cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium.

Molecular Properties

• Compound Name: cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
• PubChem CID: 7262232
• Molecular Formula: C26H33N2O3+
• Molecular Weight: 421.56 g/mol
• Exact Mass: 421.25
• IUPAC Name: cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium
• SMILES: COc1cccc(Cn2cccc2C[NH+](C[C@@H](O)COCc2ccccc2)C2CC2)c1
• InChI: InChI=1S/C26H32N2O3/c1-30-26-11-5-9-22(15-26)16-27-14-6-10-24(27)17-28(23-12-13-23)18-25(29)20-31-19-21-7-3-2-4-8-21/h2-11,14-15,23,25,29H,12-13,16-20H2,1H3/p+1/t25-/m1/s1
• InChIKey: MTNDOUCWNOHPPN-RUZDIDTESA-O
• XLogP: 2.67
• TPSA: 48.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.56
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium?

The IUPAC name of cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium (CID 7262232) is cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium.

What is the SMILES notation for cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium?

The canonical SMILES for cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium is COc1cccc(Cn2cccc2C[NH+](C[C@@H](O)COCc2ccccc2)C2CC2)c1.

What is the InChIKey of cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium?

The InChIKey is MTNDOUCWNOHPPN-RUZDIDTESA-O. The full InChI is InChI=1S/C26H32N2O3/c1-30-26-11-5-9-22(15-26)16-27-14-6-10-24(27)17-28(23-12-13-23)18-25(29)20-31-19-21-7-3-2-4-8-21/h2-11,14-15,23,25,29H,12-13,16-20H2,1H3/p+1/t25-/m1/s1.

What are the key properties of cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium?

cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium has a molecular weight of 421.56 g/mol, XLogP of 2.67, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium is sourced from PubChem (CID 7262232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).