ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate

C13H23NO4 — CID 66591539

IUPACethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1CCC(CC(=O)OCC)N1C
InChIInChI=1S/C13H23NO4/c1-4-17-12(15)8-10-6-7-11(14(10)3)9-13(16)18-5-2/h10-11H,4-9H2,1-3H3
InChIKeyXMLXYCZGPHXFJA-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.36
Rot. Bonds6

About ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate

ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate (PubChem CID 66591539) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate
PubChem CID66591539
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1CCC(CC(=O)OCC)N1C
InChIInChI=1S/C13H23NO4/c1-4-17-12(15)8-10-6-7-11(14(10)3)9-13(16)18-5-2/h10-11H,4-9H2,1-3H3
InChIKeyXMLXYCZGPHXFJA-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate (CID 66591539) is ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate is CCOC(=O)CC1CCC(CC(=O)OCC)N1C.
What is the InChIKey of ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate?
The InChIKey is XMLXYCZGPHXFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-17-12(15)8-10-6-7-11(14(10)3)9-13(16)18-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate?
ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate has a molecular weight of 257.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-2-yl]acetate is sourced from PubChem (CID 66591539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).