tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane

C13H25NO2 — CID 177036398

IUPACtert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
SMILESC.CC(C)(C)OC(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C12H21NO2.CH4/c1-11(2,3)15-10(14)13-8-6-12(4-5-12)7-9-13;/h4-9H2,1-3H3;1H4
InChIKeyKUNYSVLMIWNXSH-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.43
Rot. Bonds

About tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane

tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane (PubChem CID 177036398) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane.

Molecular Properties

Compound Nametert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
PubChem CID177036398
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
SMILESC.CC(C)(C)OC(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C12H21NO2.CH4/c1-11(2,3)15-10(14)13-8-6-12(4-5-12)7-9-13;/h4-9H2,1-3H3;1H4
InChIKeyKUNYSVLMIWNXSH-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane 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 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonane-7-carboxylate
CID 146310147
tert-butyl 9-(1-fluorocyclopropanecarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171832484
tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894204
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 9-bromo-3-azaspiro[5.5]undecane-3-carboxylate
CID 156503670
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;oxalic acid
CID 53484576
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane?
The IUPAC name of tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane (CID 177036398) is tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane.
What is the SMILES notation for tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane?
The canonical SMILES for tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane is C.CC(C)(C)OC(=O)N1CCC2(CC1)CC2.
What is the InChIKey of tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane?
The InChIKey is KUNYSVLMIWNXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.CH4/c1-11(2,3)15-10(14)13-8-6-12(4-5-12)7-9-13;/h4-9H2,1-3H3;1H4.
What are the key properties of tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane?
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane has a molecular weight of 227.35 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane is sourced from PubChem (CID 177036398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).