7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate

C14H23NO5 — CID 166445109

IUPAC7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12COC2
InChIInChI=1S/C14H23NO5/c1-5-19-11(16)10-6-15(7-14(10)8-18-9-14)12(17)20-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyYEPOUWFRPGBRCL-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.43
Rot. Bonds2

About 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate

7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate (PubChem CID 166445109) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate.

Molecular Properties

Compound Name7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate
PubChem CID166445109
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12COC2
InChIInChI=1S/C14H23NO5/c1-5-19-11(16)10-6-15(7-14(10)8-18-9-14)12(17)20-13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyYEPOUWFRPGBRCL-UHFFFAOYSA-N
XLogP1.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate?
The IUPAC name of 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate (CID 166445109) is 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate.
What is the SMILES notation for 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate?
The canonical SMILES for 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate is CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12COC2.
What is the InChIKey of 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate?
The InChIKey is YEPOUWFRPGBRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-5-19-11(16)10-6-15(7-14(10)8-18-9-14)12(17)20-13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate?
7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate has a molecular weight of 285.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate is sourced from PubChem (CID 166445109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).