tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate

C14H24N2O3 — CID 45074355

IUPACtert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCNC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-5-7-14(10-16)6-4-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)
InChIKeyBCWUGEIFXRKYMP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds

About tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate

tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate (PubChem CID 45074355) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
PubChem CID45074355
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCNC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-5-7-14(10-16)6-4-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)
InChIKeyBCWUGEIFXRKYMP-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-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

Related Compounds

tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
CID 83488912
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97125831
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate?
The IUPAC name of tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate (CID 45074355) is tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate?
The canonical SMILES for tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CCCNC2=O)C1.
What is the InChIKey of tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate?
The InChIKey is BCWUGEIFXRKYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-5-7-14(10-16)6-4-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate?
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate is sourced from PubChem (CID 45074355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).