tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate

C15H28N2O2 — CID 82667309

IUPACtert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCCC2N)C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-6-9-15(11-17)8-5-4-7-12(15)16/h12H,4-11,16H2,1-3H3
InChIKeyFCNRQISZNWVRRA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.90
Rot. Bonds

About tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate

tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate (PubChem CID 82667309) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
PubChem CID82667309
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCCC2N)C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-6-9-15(11-17)8-5-4-7-12(15)16/h12H,4-11,16H2,1-3H3
InChIKeyFCNRQISZNWVRRA-UHFFFAOYSA-N
XLogP2.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl (6R)-11-amino-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 155888677
tert-butyl 2-[2-(methylamino)ethyl]-5-azaspiro[2.5]octane-5-carboxylate
CID 84712230
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
CID 76850181
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
CID 97171663
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634

Frequently Asked Questions

What is the IUPAC name of tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate?
The IUPAC name of tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate (CID 82667309) is tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate.
What is the SMILES notation for tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate?
The canonical SMILES for tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CCCCC2N)C1.
What is the InChIKey of tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate?
The InChIKey is FCNRQISZNWVRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-6-9-15(11-17)8-5-4-7-12(15)16/h12H,4-11,16H2,1-3H3.
What are the key properties of tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate?
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate is sourced from PubChem (CID 82667309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).