tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate

C15H28N2O2 — CID 76850181

IUPACtert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCCC2)C(N)C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-9-15(12(16)11-17)7-5-4-6-8-15/h12H,4-11,16H2,1-3H3
InChIKeySECHHDPULNMSPT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.90
Rot. Bonds

About tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate

tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 76850181) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
PubChem CID76850181
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCCC2)C(N)C1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-9-15(12(16)11-17)7-5-4-6-8-15/h12H,4-11,16H2,1-3H3
InChIKeySECHHDPULNMSPT-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 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893864
3-amino-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 84809861
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl (3S)-3-(1-methylcyclohexyl)pyrrolidine-1-carboxylate
CID 154468879
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate (CID 76850181) is tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCCC2)C(N)C1.
What is the InChIKey of tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate?
The InChIKey is SECHHDPULNMSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-9-15(12(16)11-17)7-5-4-6-8-15/h12H,4-11,16H2,1-3H3.
What are the key properties of tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-carboxylate?
tert-butyl 5-amino-3-azaspiro[5.5]undecane-3-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 5-amino-3-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 76850181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).