tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

C14H24N2O4 — CID 138987633

IUPACtert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)OC2CN
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-6-4-14(5-7-16)8-11(17)19-10(14)9-15/h10H,4-9,15H2,1-3H3
InChIKeyHRIHVZSJVKHMIU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds1

About tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 138987633) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID138987633
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)OC2CN
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-6-4-14(5-7-16)8-11(17)19-10(14)9-15/h10H,4-9,15H2,1-3H3
InChIKeyHRIHVZSJVKHMIU-UHFFFAOYSA-N
XLogP1.28
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 138987633) is tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)OC2CN.
What is the InChIKey of tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is HRIHVZSJVKHMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-6-4-14(5-7-16)8-11(17)19-10(14)9-15/h10H,4-9,15H2,1-3H3.
What are the key properties of tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(aminomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 138987633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).