ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate

C8H12N2O4 — CID 155054862

IUPACethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)N1CC2(COC(=O)N2)C1
InChIInChI=1S/C8H12N2O4/c1-2-13-7(12)10-3-8(4-10)5-14-6(11)9-8/h2-5H2,1H3,(H,9,11)
InChIKeyRABFUOVYISUMBW-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.06
Rot. Bonds1

About ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate

ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 155054862) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate
PubChem CID155054862
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)N1CC2(COC(=O)N2)C1
InChIInChI=1S/C8H12N2O4/c1-2-13-7(12)10-3-8(4-10)5-14-6(11)9-8/h2-5H2,1H3,(H,9,11)
InChIKeyRABFUOVYISUMBW-UHFFFAOYSA-N
XLogP-0.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate (CID 155054862) is ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(COC(=O)N2)C1.
What is the InChIKey of ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is RABFUOVYISUMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-13-7(12)10-3-8(4-10)5-14-6(11)9-8/h2-5H2,1H3,(H,9,11).
What are the key properties of ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate?
ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 200.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-7-oxa-2,5-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 155054862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).