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

C12H22N2O2 — CID 56962195

IUPACtert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(N)C2)C1
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-5-4-12(8-14)6-9(13)7-12/h9H,4-8,13H2,1-3H3
InChIKeyTWNDWKDXPSDFLL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.73
Rot. Bonds

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

tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 56962195) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
PubChem CID56962195
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(N)C2)C1
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-5-4-12(8-14)6-9(13)7-12/h9H,4-8,13H2,1-3H3
InChIKeyTWNDWKDXPSDFLL-UHFFFAOYSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl (7R,8R)-7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate
CID 135742686
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 4-amino-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 71565256
tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
CID 167430090
tert-butyl 7-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 82379496
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 56962135
tert-butyl (5R,7S,8R)-8-hydroxy-7-methyl-2-azaspiro[4.5]decane-2-carboxylate
CID 163396496

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate (CID 56962195) is tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC(N)C2)C1.
What is the InChIKey of tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate?
The InChIKey is TWNDWKDXPSDFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-5-4-12(8-14)6-9(13)7-12/h9H,4-8,13H2,1-3H3.
What are the key properties of tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate?
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 56962195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).