tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate

C15H25NO3 — CID 167742184

IUPACtert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate
SMILESCOC1CC2(C1)CC1(CN(C(=O)OC(C)(C)C)C1)C2
InChIInChI=1S/C15H25NO3/c1-13(2,3)19-12(17)16-9-15(10-16)7-14(8-15)5-11(6-14)18-4/h11H,5-10H2,1-4H3
InChIKeyMOBZOEWVBGHLBH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.81
Rot. Bonds1

About tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate

tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate (PubChem CID 167742184) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate
PubChem CID167742184
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate
SMILESCOC1CC2(C1)CC1(CN(C(=O)OC(C)(C)C)C1)C2
InChIInChI=1S/C15H25NO3/c1-13(2,3)19-12(17)16-9-15(10-16)7-14(8-15)5-11(6-14)18-4/h11H,5-10H2,1-4H3
InChIKeyMOBZOEWVBGHLBH-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]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

Related Compounds

tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 176982512
tert-butyl 6-formyl-2-azaspiro[3.3]heptane-2-carboxylate
CID 146470104
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptan-6-yl]oxy]propanoic acid
CID 178200974
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
CID 176582761
CID 176582761
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 6-(2-iodooxysulfanyloxyethoxy)-2-azaspiro[3.3]heptane-2-carboxylate
CID 166118382
bis(tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 164886537
tert-butyl 6-(2-methylhydrazinyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 156512590
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate (CID 167742184) is tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate is COC1CC2(C1)CC1(CN(C(=O)OC(C)(C)C)C1)C2.
What is the InChIKey of tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate?
The InChIKey is MOBZOEWVBGHLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2,3)19-12(17)16-9-15(10-16)7-14(8-15)5-11(6-14)18-4/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate?
tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate is sourced from PubChem (CID 167742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).