ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate

C11H17NO5 — CID 11736659

IUPACethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)CC1C(=O)CCN1C(=O)OCC
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)7-8-9(13)5-6-12(8)11(15)17-4-2/h8H,3-7H2,1-2H3
InChIKeyCUDZIKIQKYISEN-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.74
Rot. Bonds4

About ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate

ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate (PubChem CID 11736659) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate
PubChem CID11736659
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)CC1C(=O)CCN1C(=O)OCC
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)7-8-9(13)5-6-12(8)11(15)17-4-2/h8H,3-7H2,1-2H3
InChIKeyCUDZIKIQKYISEN-UHFFFAOYSA-N
XLogP0.74
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate (CID 11736659) is ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate is CCOC(=O)CC1C(=O)CCN1C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate?
The InChIKey is CUDZIKIQKYISEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-16-10(14)7-8-9(13)5-6-12(8)11(15)17-4-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate?
ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11736659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).