tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate

C11H20N2O2 — CID 56962197

IUPACtert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC12CC(N)C2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(13)6-8(12)7-11/h8H,4-7,12H2,1-3H3
InChIKeyBGRGEIZJUAJNAB-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.49
Rot. Bonds

About tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate

tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate (PubChem CID 56962197) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
PubChem CID56962197
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC12CC(N)C2
InChIInChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(13)6-8(12)7-11/h8H,4-7,12H2,1-3H3
InChIKeyBGRGEIZJUAJNAB-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-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 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate
CID 21307053
tert-butyl 6-methylsulfonyloxy-1-azaspiro[3.3]heptane-1-carboxylate
CID 90156265
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
CID 21307005
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate?
The IUPAC name of tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate (CID 56962197) is tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate?
The canonical SMILES for tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate is CC(C)(C)OC(=O)N1CCC12CC(N)C2.
What is the InChIKey of tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate?
The InChIKey is BGRGEIZJUAJNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(13)6-8(12)7-11/h8H,4-7,12H2,1-3H3.
What are the key properties of tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate?
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate is sourced from PubChem (CID 56962197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).