ethyl 5-oxo-1,3-oxazolidine-3-carboxylate

C6H9NO4 — CID 45090329

IUPACethyl 5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1COC(=O)C1
InChIInChI=1S/C6H9NO4/c1-2-10-6(9)7-3-5(8)11-4-7/h2-4H2,1H3
InChIKeyPPWJZSWSUCUXIJ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.04
Rot. Bonds1

About ethyl 5-oxo-1,3-oxazolidine-3-carboxylate

ethyl 5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 45090329) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is ethyl 5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID45090329
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Nameethyl 5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1COC(=O)C1
InChIInChI=1S/C6H9NO4/c1-2-10-6(9)7-3-5(8)11-4-7/h2-4H2,1H3
InChIKeyPPWJZSWSUCUXIJ-UHFFFAOYSA-N
XLogP-0.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl 5-oxo-1,3-oxazolidine-3-carboxylate (CID 45090329) is ethyl 5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl 5-oxo-1,3-oxazolidine-3-carboxylate is CCOC(=O)N1COC(=O)C1.
What is the InChIKey of ethyl 5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is PPWJZSWSUCUXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-2-10-6(9)7-3-5(8)11-4-7/h2-4H2,1H3.
What are the key properties of ethyl 5-oxo-1,3-oxazolidine-3-carboxylate?
ethyl 5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 159.14 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 45090329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).