tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride

C12H23ClN2O3 — CID 146049689

IUPACtert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(CN)OCC12CC2.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-11(2,3)17-10(15)14-7-9(6-13)16-8-12(14)4-5-12;/h9H,4-8,13H2,1-3H3;1H
InChIKeyDEUCQVPXFOLSCC-UHFFFAOYSA-N
MW278.78 g/mol
LogP1.54
Rot. Bonds1

About tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride

tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride (PubChem CID 146049689) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride
PubChem CID146049689
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Nametert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(CN)OCC12CC2.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-11(2,3)17-10(15)14-7-9(6-13)16-8-12(14)4-5-12;/h9H,4-8,13H2,1-3H3;1H
InChIKeyDEUCQVPXFOLSCC-UHFFFAOYSA-N
XLogP1.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (7R)-7-methyl-2-phenylmethoxy-8-oxa-5-azaspiro[3.5]nonane-5-carboxylate
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tert-butyl (1S,4R)-1-(aminomethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride (CID 146049689) is tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CC(CN)OCC12CC2.Cl.
What is the InChIKey of tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride?
The InChIKey is DEUCQVPXFOLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-11(2,3)17-10(15)14-7-9(6-13)16-8-12(14)4-5-12;/h9H,4-8,13H2,1-3H3;1H.
What are the key properties of tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride?
tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(aminomethyl)-7-oxa-4-azaspiro[2.5]octane-4-carboxylate;hydrochloride is sourced from PubChem (CID 146049689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).