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

C15H24N2O5 — CID 67393259

IUPAC8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate
SMILESCCOC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C15H24N2O5/c1-5-20-12(18)11-10-15(22-16-11)6-8-17(9-7-15)13(19)21-14(2,3)4/h5-10H2,1-4H3
InChIKeyREZWEKFBSWCVEQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.10
Rot. Bonds2

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

8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate (PubChem CID 67393259) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate
PubChem CID67393259
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate
SMILESCCOC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C15H24N2O5/c1-5-20-12(18)11-10-15(22-16-11)6-8-17(9-7-15)13(19)21-14(2,3)4/h5-10H2,1-4H3
InChIKeyREZWEKFBSWCVEQ-UHFFFAOYSA-N
XLogP2.10
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.10
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-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate (CID 67393259) is 8-O-tert-butyl 3-O-ethyl 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-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate is CCOC(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of 8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate?
The InChIKey is REZWEKFBSWCVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-5-20-12(18)11-10-15(22-16-11)6-8-17(9-7-15)13(19)21-14(2,3)4/h5-10H2,1-4H3.
What are the key properties of 8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate?
8-O-tert-butyl 3-O-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.10, 2 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-ethyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylate is sourced from PubChem (CID 67393259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).