ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate

C18H22FNO3 — CID 18427803

IUPACethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C2CC(=O)N(Cc3ccccc3)C2)CC(F)C1
InChIInChI=1S/C18H22FNO3/c1-2-23-17(22)18(9-15(19)10-18)14-8-16(21)20(12-14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKeyOMYXTZXPDVLERC-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.72
Rot. Bonds5

About ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate

ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate (PubChem CID 18427803) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate
PubChem CID18427803
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Nameethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C2CC(=O)N(Cc3ccccc3)C2)CC(F)C1
InChIInChI=1S/C18H22FNO3/c1-2-23-17(22)18(9-15(19)10-18)14-8-16(21)20(12-14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKeyOMYXTZXPDVLERC-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[(3R)-1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]buta-2,3-dienoate
CID 139260057
methyl (1R,5S,6S)-3-benzyl-6-fluoro-2,4-dioxo-3-azabicyclo[3.2.0]heptane-6-carboxylate
CID 168329535
N-benzyl-N,2-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 87054496
Ethyl 6-benzyl-6-azaspiro[3.4]octane-8-carboxylate
CID 134962765
Methyl 5-[7-(3,4-difluorobenzyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-5-oxopentanoate
CID 45199324
Methyl 5-[7-(4-fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-5-oxopentanoate
CID 45227346
ethyl 2-[(3S)-1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]buta-2,3-dienoate
CID 54756621
4-(S)-(1-Ethoxycarbonylcyclopropyl)-3,3-difluoro-1-[1-(S)-phenylethyl]-2-pyrrolidone
CID 10882284
4-(S)-(1Ethoxycarbonylcyclopropyl)-3-(S)-fluoro-1-[1-(S)-phenylethyl]pyrrolidine
CID 10968757
4-(S)-(1-Ethoxycarbonylcyclopropyl)-3-(S)-fluoro-1-[1-(S)-phenylethyl]-2-pyrrolidone
CID 10969218
ethyl 1-[(3S,4R)-4-fluoro-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]cyclopropane-1-carboxylate
CID 10990395
ethyl 1-[(3S)-4,4-difluoro-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]cyclopropane-1-carboxylate
CID 11023744

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate (CID 18427803) is ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate is CCOC(=O)C1(C2CC(=O)N(Cc3ccccc3)C2)CC(F)C1.
What is the InChIKey of ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate?
The InChIKey is OMYXTZXPDVLERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-2-23-17(22)18(9-15(19)10-18)14-8-16(21)20(12-14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3.
What are the key properties of ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate?
ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate has a molecular weight of 319.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylate is sourced from PubChem (CID 18427803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).