tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate

C13H24N2O2 — CID 155820435

IUPACtert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CN)CCC12CCC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-10(9-14)5-8-13(15)6-4-7-13/h10H,4-9,14H2,1-3H3
InChIKeySUSNUZSNUPNBLD-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.27
Rot. Bonds1

About tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate

tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate (PubChem CID 155820435) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate
PubChem CID155820435
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CN)CCC12CCC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-10(9-14)5-8-13(15)6-4-7-13/h10H,4-9,14H2,1-3H3
InChIKeySUSNUZSNUPNBLD-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 71112214
tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate
CID 162341768
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-6-carboxylic acid
CID 146082478
tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
CID 124603858
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
tert-butyl 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 76656761
tert-butyl (4S)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate
CID 7145120
tert-butyl (2R,4S)-4-amino-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 131124333
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate (CID 155820435) is tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate is CC(C)(C)OC(=O)N1C(CN)CCC12CCC2.
What is the InChIKey of tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate?
The InChIKey is SUSNUZSNUPNBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-10(9-14)5-8-13(15)6-4-7-13/h10H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate?
tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 155820435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).