tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate

C13H24N2O3 — CID 71305868

IUPACtert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC(N)CO2)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-4-5-13(9-15)7-10(14)8-17-13/h10H,4-9,14H2,1-3H3
InChIKeySUOFDUWABCFZJT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.50
Rot. Bonds

About tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate

tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate (PubChem CID 71305868) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
PubChem CID71305868
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CC(N)CO2)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-4-5-13(9-15)7-10(14)8-17-13/h10H,4-9,14H2,1-3H3
InChIKeySUOFDUWABCFZJT-UHFFFAOYSA-N
XLogP1.50
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate (CID 71305868) is tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CC(N)CO2)C1.
What is the InChIKey of tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
The InChIKey is SUOFDUWABCFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-4-5-13(9-15)7-10(14)8-17-13/h10H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate?
tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-1-oxa-9-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 71305868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).