(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate

C14H16ClNO4 — CID 2356343

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C14H16ClNO4/c15-11-3-5-12(6-4-11)19-10-14(18)20-9-13(17)16-7-1-2-8-16/h3-6H,1-2,7-10H2
InChIKeyJQXLKCRFMIPENB-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.88
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate (PubChem CID 2356343) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate
PubChem CID2356343
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCC1
InChIInChI=1S/C14H16ClNO4/c15-11-3-5-12(6-4-11)19-10-14(18)20-9-13(17)16-7-1-2-8-16/h3-6H,1-2,7-10H2
InChIKeyJQXLKCRFMIPENB-UHFFFAOYSA-N
XLogP1.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate (CID 2356343) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate?
The InChIKey is JQXLKCRFMIPENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-3-5-12(6-4-11)19-10-14(18)20-9-13(17)16-7-1-2-8-16/h3-6H,1-2,7-10H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate has a molecular weight of 297.74 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2356343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).