2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate

C14H23FN2O4 — CID 146050348

IUPAC2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
SMILESCCOC(=O)C1(F)CNCC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H23FN2O4/c1-5-20-10(18)14(15)7-16-6-13(14)8-17(9-13)11(19)21-12(2,3)4/h16H,5-9H2,1-4H3
InChIKeyBBQOUXJGAUKQBI-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.10
Rot. Bonds2

About 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate

2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate (PubChem CID 146050348) has the molecular formula C14H23FN2O4 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
PubChem CID146050348
Molecular FormulaC14H23FN2O4
Molecular Weight302.35 g/mol
Exact Mass302.16
IUPAC Name2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
SMILESCCOC(=O)C1(F)CNCC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H23FN2O4/c1-5-20-10(18)14(15)7-16-6-13(14)8-17(9-13)11(19)21-12(2,3)4/h16H,5-9H2,1-4H3
InChIKeyBBQOUXJGAUKQBI-UHFFFAOYSA-N
XLogP1.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate (CID 146050348) is 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate is CCOC(=O)C1(F)CNCC12CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The InChIKey is BBQOUXJGAUKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O4/c1-5-20-10(18)14(15)7-16-6-13(14)8-17(9-13)11(19)21-12(2,3)4/h16H,5-9H2,1-4H3.
What are the key properties of 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate has a molecular weight of 302.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 5-O-ethyl 5-fluoro-2,7-diazaspiro[3.4]octane-2,5-dicarboxylate is sourced from PubChem (CID 146050348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).