ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate

C11H17NO5 — CID 70439000

IUPACethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)CC1CC(=O)N(C(=O)OCC)C1
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)6-8-5-9(13)12(7-8)11(15)17-4-2/h8H,3-7H2,1-2H3
InChIKeyNRGBHOIQEUMTHM-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.94
Rot. Bonds4

About ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate

ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate (PubChem CID 70439000) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate
PubChem CID70439000
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate
SMILESCCOC(=O)CC1CC(=O)N(C(=O)OCC)C1
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)6-8-5-9(13)12(7-8)11(15)17-4-2/h8H,3-7H2,1-2H3
InChIKeyNRGBHOIQEUMTHM-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3S)-5-oxopyrrolidin-3-yl]acetate
CID 98007144
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)acetate
CID 53396184
4-(bromomethyl)-1-(1-ethoxy-4,4,4-trifluoro-3-oxobut-1-enyl)pyrrolidin-2-one
CID 168503824
ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate
CID 143875958
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate
CID 11735742
ethyl 3-(2-ethoxy-2-oxoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748295
ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate
CID 68572704
ethyl 2-[(5R)-5-ethyl-6-oxooxan-3-yl]acetate
CID 10375945
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate (CID 70439000) is ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate is CCOC(=O)CC1CC(=O)N(C(=O)OCC)C1.
What is the InChIKey of ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate?
The InChIKey is NRGBHOIQEUMTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-16-10(14)6-8-5-9(13)12(7-8)11(15)17-4-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate?
ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxy-2-oxoethyl)-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 70439000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).