tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate

C12H20N2O3 — CID 82387927

IUPACtert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C2(CCNC2)C1
InChIInChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-9(15)12(8-14)4-5-13-7-12/h13H,4-8H2,1-3H3
InChIKeyMZKKEGUXPONEDV-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.79
Rot. Bonds

About tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 82387927) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID82387927
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C2(CCNC2)C1
InChIInChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-9(15)12(8-14)4-5-13-7-12/h13H,4-8H2,1-3H3
InChIKeyMZKKEGUXPONEDV-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 74788415
tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
CID 83488912
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 6-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 118238455
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 117272543
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
CID 131407351
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 82387927) is tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC(=O)C2(CCNC2)C1.
What is the InChIKey of tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is MZKKEGUXPONEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-9(15)12(8-14)4-5-13-7-12/h13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate?
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 82387927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).