tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate

C13H23NO2 — CID 144719040

IUPACtert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
SMILESCC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C13H23NO2/c1-10-7-13(8-10)5-6-14(9-13)11(15)16-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyJPBZSUHIROLSMV-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.04
Rot. Bonds

About tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate

tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 144719040) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
PubChem CID144719040
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
SMILESCC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C13H23NO2/c1-10-7-13(8-10)5-6-14(9-13)11(15)16-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyJPBZSUHIROLSMV-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-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 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
tert-butyl (5R,7S,8R)-8-hydroxy-7-methyl-2-azaspiro[4.5]decane-2-carboxylate
CID 163396496
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl (7R,8R)-7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate
CID 135742686
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;tert-butyl 2-methyl-7-azaspiro[3.5]nonane-7-carboxylate;methanesulfonyl chloride
CID 159618134
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate (CID 144719040) is tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate is CC1CC2(CCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate?
The InChIKey is JPBZSUHIROLSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-7-13(8-10)5-6-14(9-13)11(15)16-12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate?
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 144719040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).