(4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one

C47H65N3O11 — CID 158860384

About (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one

(4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one (PubChem CID 158860384) has the molecular formula C47H65N3O11 and a molecular weight of 848.05 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one
• PubChem CID: 158860384
• Molecular Formula: C47H65N3O11
• Molecular Weight: 848.05 g/mol
• Exact Mass: 847.46
• IUPAC Name: (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one
• SMILES: COC[C@@H](O)[C@@H]1CC(=O)N([C@H](C)c2ccc(OC)cc2)C1.COC[C@H](O)[C@@H]1CC(=O)N([C@H](C)c2ccc(OC)cc2)C1.COc1ccc([C@@H](C)N2C[C@H](C3CO3)CC2=O)cc1
• InChI: InChI=1S/2C16H23NO4.C15H19NO3/c2*1-11(12-4-6-14(21-3)7-5-12)17-9-13(8-16(17)19)15(18)10-20-2;1-10(11-3-5-13(18-2)6-4-11)16-8-12(7-15(16)17)14-9-19-14/h2*4-7,11,13,15,18H,8-10H2,1-3H3;3-6,10,12,14H,7-9H2,1-2H3/t11-,13-,15+;11-,13-,15-;10-,12-,14?/m111/s1
• InChIKey: JAOQVJGXQKHDOU-JKKYBBQCSA-N
• XLogP: 5.23
• TPSA: 160.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.05
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one (CID 158860384) is (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one is COC[C@@H](O)[C@@H]1CC(=O)N([C@H](C)c2ccc(OC)cc2)C1.COC[C@H](O)[C@@H]1CC(=O)N([C@H](C)c2ccc(OC)cc2)C1.COc1ccc([C@@H](C)N2C[C@H](C3CO3)CC2=O)cc1.

What is the InChIKey of (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one?

The InChIKey is JAOQVJGXQKHDOU-JKKYBBQCSA-N. The full InChI is InChI=1S/2C16H23NO4.C15H19NO3/c2*1-11(12-4-6-14(21-3)7-5-12)17-9-13(8-16(17)19)15(18)10-20-2;1-10(11-3-5-13(18-2)6-4-11)16-8-12(7-15(16)17)14-9-19-14/h2*4-7,11,13,15,18H,8-10H2,1-3H3;3-6,10,12,14H,7-9H2,1-2H3/t11-,13-,15+;11-,13-,15-;10-,12-,14?/m111/s1.

What are the key properties of (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one?

(4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one has a molecular weight of 848.05 g/mol, XLogP of 5.23, 16 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1S)-1-hydroxy-2-methoxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(oxiran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 158860384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).