ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate

C11H17NO5 — CID 85231054

IUPACethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)CN1C(=O)CCC1C(=O)OCC
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)7-12-8(5-6-9(12)13)11(15)17-4-2/h8H,3-7H2,1-2H3
InChIKeyYECKGYLWHMBGTJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.10
Rot. Bonds5

About ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate

ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 85231054) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID85231054
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)CN1C(=O)CCC1C(=O)OCC
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)7-12-8(5-6-9(12)13)11(15)17-4-2/h8H,3-7H2,1-2H3
InChIKeyYECKGYLWHMBGTJ-UHFFFAOYSA-N
XLogP0.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3-bromoprop-2-ynyl)-5-oxopyrrolidine-2-carboxylate
CID 156787122
ethyl (2S)-1-carbamothioyl-5-oxopyrrolidine-2-carboxylate
CID 45118614
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
ethyl (2R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 66644833
ethyl 1-(2-ethoxy-2-oxoethyl)aziridine-2-carboxylate
CID 2851731
ethyl 1-[4-[(2-ethoxycarbonyl-5-oxopyrrolidine-1-carbonyl)amino]butylcarbamoyl]-5-oxopyrrolidine-2-carboxylate
CID 11626634
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate
CID 71328527
methyl 1-(chloromethyl)-5-oxopyrrolidine-2-carboxylate
CID 10583885
2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
CID 71186618
2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid
CID 59945978

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate (CID 85231054) is ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)CN1C(=O)CCC1C(=O)OCC.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is YECKGYLWHMBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-16-10(14)7-12-8(5-6-9(12)13)11(15)17-4-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate?
ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 85231054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).