ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate

C14H15FN2O4 — CID 3872339

IUPACethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
SMILESCCOC(=O)CNC1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H15FN2O4/c1-2-21-13(19)8-16-11-7-12(18)17(14(11)20)10-5-3-9(15)4-6-10/h3-6,11,16H,2,7-8H2,1H3
InChIKeyQACWMXBUFFUDHL-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.61
Rot. Bonds5

About ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate

ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate (PubChem CID 3872339) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
PubChem CID3872339
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
SMILESCCOC(=O)CNC1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C14H15FN2O4/c1-2-21-13(19)8-16-11-7-12(18)17(14(11)20)10-5-3-9(15)4-6-10/h3-6,11,16H,2,7-8H2,1H3
InChIKeyQACWMXBUFFUDHL-UHFFFAOYSA-N
XLogP0.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate (CID 3872339) is ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate is CCOC(=O)CNC1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The InChIKey is QACWMXBUFFUDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-2-21-13(19)8-16-11-7-12(18)17(14(11)20)10-5-3-9(15)4-6-10/h3-6,11,16H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate has a molecular weight of 294.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate is sourced from PubChem (CID 3872339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).