8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate

C14H22N2O5 — CID 89175407

IUPAC8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate
SMILESCOC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H22N2O5/c1-13(2,3)20-12(18)16-7-5-14(6-8-16)9-10(15-21-14)11(17)19-4/h5-9H2,1-4H3
InChIKeyFLMAFCMEUHCZLR-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.71
Rot. Bonds1

About 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate

8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate (PubChem CID 89175407) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate
PubChem CID89175407
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate
SMILESCOC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H22N2O5/c1-13(2,3)20-12(18)16-7-5-14(6-8-16)9-10(15-21-14)11(17)19-4/h5-9H2,1-4H3
InChIKeyFLMAFCMEUHCZLR-UHFFFAOYSA-N
XLogP1.71
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate (CID 89175407) is 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate.
What is the SMILES notation for 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate is COC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate?
The InChIKey is FLMAFCMEUHCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-13(2,3)20-12(18)16-7-5-14(6-8-16)9-10(15-21-14)11(17)19-4/h5-9H2,1-4H3.
What are the key properties of 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate?
8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate has a molecular weight of 298.34 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 3-O-methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate is sourced from PubChem (CID 89175407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).