(4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C19H27NO4 — CID 88588041

IUPAC(4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESCCOOCC1C(=O)N([C@@H](C)c2ccccc2)C[C@H]1C1(CO)CC1
InChIInChI=1S/C19H27NO4/c1-3-23-24-12-16-17(19(13-21)9-10-19)11-20(18(16)22)14(2)15-7-5-4-6-8-15/h4-8,14,16-17,21H,3,9-13H2,1-2H3/t14-,16?,17+/m0/s1
InChIKeyCTLPXGODXPNCPW-DRXWIORDSA-N
MW333.43 g/mol
LogP2.56
Rot. Bonds8

About (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

(4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 88588041) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID88588041
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESCCOOCC1C(=O)N([C@@H](C)c2ccccc2)C[C@H]1C1(CO)CC1
InChIInChI=1S/C19H27NO4/c1-3-23-24-12-16-17(19(13-21)9-10-19)11-20(18(16)22)14(2)15-7-5-4-6-8-15/h4-8,14,16-17,21H,3,9-13H2,1-2H3/t14-,16?,17+/m0/s1
InChIKeyCTLPXGODXPNCPW-DRXWIORDSA-N
XLogP2.56
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]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 (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 88588041) is (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is CCOOCC1C(=O)N([C@@H](C)c2ccccc2)C[C@H]1C1(CO)CC1.
What is the InChIKey of (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is CTLPXGODXPNCPW-DRXWIORDSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-23-24-12-16-17(19(13-21)9-10-19)11-20(18(16)22)14(2)15-7-5-4-6-8-15/h4-8,14,16-17,21H,3,9-13H2,1-2H3/t14-,16?,17+/m0/s1.
What are the key properties of (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
(4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 333.43 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(ethylperoxymethyl)-4-[1-(hydroxymethyl)cyclopropyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 88588041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).