tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C13H21FN2O3 — CID 118402022

IUPACtert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CNC(=O)C2)C(F)C1
InChIInChI=1S/C13H21FN2O3/c1-12(2,3)19-11(18)16-5-4-13(9(14)7-16)6-10(17)15-8-13/h9H,4-8H2,1-3H3,(H,15,17)
InChIKeyZUBKPUSMZJMSOC-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.47
Rot. Bonds

About tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 118402022) has the molecular formula C13H21FN2O3 and a molecular weight of 272.32 g/mol. Its IUPAC name is tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID118402022
Molecular FormulaC13H21FN2O3
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Nametert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CNC(=O)C2)C(F)C1
InChIInChI=1S/C13H21FN2O3/c1-12(2,3)19-11(18)16-5-4-13(9(14)7-16)6-10(17)15-8-13/h9H,4-8H2,1-3H3,(H,15,17)
InChIKeyZUBKPUSMZJMSOC-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 118402022) is tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CNC(=O)C2)C(F)C1.
What is the InChIKey of tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZUBKPUSMZJMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3/c1-12(2,3)19-11(18)16-5-4-13(9(14)7-16)6-10(17)15-8-13/h9H,4-8H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 272.32 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-fluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 118402022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).