ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate

C20H26FNO4 — CID 57176154

IUPACethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)CC(c1cccc(F)c1)N1CCC(CCCC(C)=O)C1=O
InChIInChI=1S/C20H26FNO4/c1-3-26-19(24)13-18(16-8-5-9-17(21)12-16)22-11-10-15(20(22)25)7-4-6-14(2)23/h5,8-9,12,15,18H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyRDINWFHOZIHSCO-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.43
Rot. Bonds9

About ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate

ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate (PubChem CID 57176154) has the molecular formula C20H26FNO4 and a molecular weight of 363.43 g/mol. Its IUPAC name is ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate
PubChem CID57176154
Molecular FormulaC20H26FNO4
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Nameethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)CC(c1cccc(F)c1)N1CCC(CCCC(C)=O)C1=O
InChIInChI=1S/C20H26FNO4/c1-3-26-19(24)13-18(16-8-5-9-17(21)12-16)22-11-10-15(20(22)25)7-4-6-14(2)23/h5,8-9,12,15,18H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyRDINWFHOZIHSCO-UHFFFAOYSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate (CID 57176154) is ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate is CCOC(=O)CC(c1cccc(F)c1)N1CCC(CCCC(C)=O)C1=O.
What is the InChIKey of ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate?
The InChIKey is RDINWFHOZIHSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO4/c1-3-26-19(24)13-18(16-8-5-9-17(21)12-16)22-11-10-15(20(22)25)7-4-6-14(2)23/h5,8-9,12,15,18H,3-4,6-7,10-11,13H2,1-2H3.
What are the key properties of ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate?
ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate has a molecular weight of 363.43 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluorophenyl)-3-[2-oxo-3-(4-oxopentyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 57176154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).