ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate

C11H19NO4 — CID 14337544

IUPACethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)CC1CCCN1C(=O)OCC
InChIInChI=1S/C11H19NO4/c1-3-15-10(13)8-9-6-5-7-12(9)11(14)16-4-2/h9H,3-8H2,1-2H3
InChIKeyXSLRARAOLUMICA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds4

About ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate

ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 14337544) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID14337544
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)CC1CCCN1C(=O)OCC
InChIInChI=1S/C11H19NO4/c1-3-15-10(13)8-9-6-5-7-12(9)11(14)16-4-2/h9H,3-8H2,1-2H3
InChIKeyXSLRARAOLUMICA-UHFFFAOYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate (CID 14337544) is ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate is CCOC(=O)CC1CCCN1C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is XSLRARAOLUMICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-15-10(13)8-9-6-5-7-12(9)11(14)16-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate?
ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 14337544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).