ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate

C18H22FNO3 — CID 21260991

IUPACethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2CN(C(C)c3ccccc3)C(=O)C2F)CC1
InChIInChI=1S/C18H22FNO3/c1-3-23-17(22)18(9-10-18)14-11-20(16(21)15(14)19)12(2)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3
InChIKeyLNLWTUABIZQGMP-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.89
Rot. Bonds5

About ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate

ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate (PubChem CID 21260991) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate
PubChem CID21260991
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Nameethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2CN(C(C)c3ccccc3)C(=O)C2F)CC1
InChIInChI=1S/C18H22FNO3/c1-3-23-17(22)18(9-10-18)14-11-20(16(21)15(14)19)12(2)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3
InChIKeyLNLWTUABIZQGMP-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-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 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 563064
ethyl 2-[(3R)-1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]buta-2,3-dienoate
CID 139260057
N-benzyl-N,2-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 87054496
Ethyl trans-3-benzyl-2,4-dioxo-3-aza-bicyclo[3.1.0]hexane-6-carboxylate
CID 11033026
Methyl 5-[7-(4-fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-5-oxopentanoate
CID 45227346
methyl 5-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-3,3-dimethyl-5-oxopentanoate
CID 97250899
ethyl 2-[(3S)-1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]buta-2,3-dienoate
CID 54756621
4-(1-Ethoxycarbonylcyclopropyl)-3-fluoro-1-[1-(S)-phenylethyl1-3-pyrrolin-2-one
CID 9922960
4-(S)-(1-Ethoxycarbonylcyclopropyl)-3-(R)-fluoro-1-[1-(S)-phenylethyl]-2-pyrrolidinethione
CID 10860640
4-(S)-(1-Ethoxycarbonylcyclopropyl)-3,3-difluoro-1-[1-(S)-phenylethyl]-2-pyrrolidone
CID 10882284
4-(S)-(1-Ethoxycarbonylcyclopropyl)-3-(S)-fluoro-1-[1-(S)-phenylethyl]-2-pyrrolidinthione
CID 10925716
4-(S)-(1Ethoxycarbonylcyclopropyl)-3-(S)-fluoro-1-[1-(S)-phenylethyl]pyrrolidine
CID 10968757

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate (CID 21260991) is ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(C2CN(C(C)c3ccccc3)C(=O)C2F)CC1.
What is the InChIKey of ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate?
The InChIKey is LNLWTUABIZQGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-3-23-17(22)18(9-10-18)14-11-20(16(21)15(14)19)12(2)13-7-5-4-6-8-13/h4-8,12,14-15H,3,9-11H2,1-2H3.
What are the key properties of ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate?
ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate has a molecular weight of 319.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 21260991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).