ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate

C13H21NO5 — CID 54116216

IUPACethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCCOC(=O)CCC1(CC(=O)OCC)CCC(=O)N1
InChIInChI=1S/C13H21NO5/c1-3-18-11(16)6-8-13(7-5-10(15)14-13)9-12(17)19-4-2/h3-9H2,1-2H3,(H,14,15)
InChIKeyNKNINIKQISOGEA-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.93
Rot. Bonds7

About ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate

ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate (PubChem CID 54116216) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
PubChem CID54116216
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nameethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCCOC(=O)CCC1(CC(=O)OCC)CCC(=O)N1
InChIInChI=1S/C13H21NO5/c1-3-18-11(16)6-8-13(7-5-10(15)14-13)9-12(17)19-4-2/h3-9H2,1-2H3,(H,14,15)
InChIKeyNKNINIKQISOGEA-UHFFFAOYSA-N
XLogP0.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate?
The IUPAC name of ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate (CID 54116216) is ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate is CCOC(=O)CCC1(CC(=O)OCC)CCC(=O)N1.
What is the InChIKey of ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate?
The InChIKey is NKNINIKQISOGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-3-18-11(16)6-8-13(7-5-10(15)14-13)9-12(17)19-4-2/h3-9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate?
ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate has a molecular weight of 271.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate is sourced from PubChem (CID 54116216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).