ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

C10H14N2O5 — CID 102432394

IUPACethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
SMILESCCOC(=O)C1=[N+]([O-])OC(N2CCCC2=O)C1
InChIInChI=1S/C10H14N2O5/c1-2-16-10(14)7-6-9(17-12(7)15)11-5-3-4-8(11)13/h9H,2-6H2,1H3
InChIKeyWKHRDMLAFMQBCD-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.22
Rot. Bonds3

About ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate (PubChem CID 102432394) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
PubChem CID102432394
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Nameethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate
SMILESCCOC(=O)C1=[N+]([O-])OC(N2CCCC2=O)C1
InChIInChI=1S/C10H14N2O5/c1-2-16-10(14)7-6-9(17-12(7)15)11-5-3-4-8(11)13/h9H,2-6H2,1H3
InChIKeyWKHRDMLAFMQBCD-UHFFFAOYSA-N
XLogP-0.22
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-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-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate?
The IUPAC name of ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate (CID 102432394) is ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate.
What is the SMILES notation for ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate?
The canonical SMILES for ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate is CCOC(=O)C1=[N+]([O-])OC(N2CCCC2=O)C1.
What is the InChIKey of ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate?
The InChIKey is WKHRDMLAFMQBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-2-16-10(14)7-6-9(17-12(7)15)11-5-3-4-8(11)13/h9H,2-6H2,1H3.
What are the key properties of ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate?
ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate has a molecular weight of 242.23 g/mol, XLogP of -0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxido-5-(2-oxopyrrolidin-1-yl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate is sourced from PubChem (CID 102432394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).