tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate

C14H23N3O2 — CID 137433030

IUPACtert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(N)(C#N)C2
InChIInChI=1S/C14H23N3O2/c1-12(2,3)19-11(18)17-6-4-13(5-7-17)8-14(16,9-13)10-15/h4-9,16H2,1-3H3
InChIKeyVEGJXIHPQUJMEB-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.02
Rot. Bonds

About tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 137433030) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID137433030
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(N)(C#N)C2
InChIInChI=1S/C14H23N3O2/c1-12(2,3)19-11(18)17-6-4-13(5-7-17)8-14(16,9-13)10-15/h4-9,16H2,1-3H3
InChIKeyVEGJXIHPQUJMEB-UHFFFAOYSA-N
XLogP2.02
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-amino-3-cyanopyrrolidine-1-carboxylate
CID 86330831
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 9-(2-cyanoacetyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 122145688
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 2-(hydroxymethyl)-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657091
tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894204
tert-butyl 4-amino-4-cyano-3-methylpiperidine-1-carboxylate
CID 130590170
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 4-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 136590338
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate (CID 137433030) is tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(N)(C#N)C2.
What is the InChIKey of tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is VEGJXIHPQUJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12(2,3)19-11(18)17-6-4-13(5-7-17)8-14(16,9-13)10-15/h4-9,16H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-cyano-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 137433030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).