tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate

C12H20N2O4 — CID 84805339

IUPACtert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)COC(=O)N2
InChIInChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-6-4-12(5-7-14)8-17-9(15)13-12/h4-8H2,1-3H3,(H,13,15)
InChIKeyFDSZQPNIMFIVMY-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.50
Rot. Bonds

About tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 84805339) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID84805339
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)COC(=O)N2
InChIInChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-6-4-12(5-7-14)8-17-9(15)13-12/h4-8H2,1-3H3,(H,13,15)
InChIKeyFDSZQPNIMFIVMY-UHFFFAOYSA-N
XLogP1.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-oxo-3-oxa-1,8-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 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 84805339) is tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)COC(=O)N2.
What is the InChIKey of tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is FDSZQPNIMFIVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-6-4-12(5-7-14)8-17-9(15)13-12/h4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 84805339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).