(4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one

C18H20N2O3 — CID 166565003

IUPAC(4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1ccc(Oc2ccc(CN3C(=O)C[C@H](O)[C@@H]3C)nc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12-3-6-15(7-4-12)23-16-8-5-14(19-10-16)11-20-13(2)17(21)9-18(20)22/h3-8,10,13,17,21H,9,11H2,1-2H3/t13-,17-/m0/s1
InChIKeyIUZOULXGTXSJOR-GUYCJALGSA-N
MW312.37 g/mol
LogP2.66
Rot. Bonds4

About (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one

(4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 166565003) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID166565003
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCc1ccc(Oc2ccc(CN3C(=O)C[C@H](O)[C@@H]3C)nc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12-3-6-15(7-4-12)23-16-8-5-14(19-10-16)11-20-13(2)17(21)9-18(20)22/h3-8,10,13,17,21H,9,11H2,1-2H3/t13-,17-/m0/s1
InChIKeyIUZOULXGTXSJOR-GUYCJALGSA-N
XLogP2.66
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one (CID 166565003) is (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one is Cc1ccc(Oc2ccc(CN3C(=O)C[C@H](O)[C@@H]3C)nc2)cc1.
What is the InChIKey of (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is IUZOULXGTXSJOR-GUYCJALGSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-3-6-15(7-4-12)23-16-8-5-14(19-10-16)11-20-13(2)17(21)9-18(20)22/h3-8,10,13,17,21H,9,11H2,1-2H3/t13-,17-/m0/s1.
What are the key properties of (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one?
(4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-hydroxy-5-methyl-1-[[5-(4-methylphenoxy)-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166565003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).