tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride

C11H21ClN2O3 — CID 146026801

IUPACtert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCOCC12CNC2.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-10(2,3)16-9(14)13-4-5-15-8-11(13)6-12-7-11;/h12H,4-8H2,1-3H3;1H
InChIKeyOVSZHOHSRBKZCZ-UHFFFAOYSA-N
MW264.75 g/mol
LogP1.02
Rot. Bonds

About tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride

tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride (PubChem CID 146026801) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
PubChem CID146026801
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Nametert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCOCC12CNC2.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-10(2,3)16-9(14)13-4-5-15-8-11(13)6-12-7-11;/h12H,4-8H2,1-3H3;1H
InChIKeyOVSZHOHSRBKZCZ-UHFFFAOYSA-N
XLogP1.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 22309142
tert-butyl 1-(2,2,2-trifluoroacetyl)-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 88544966
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate
CID 155970645
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CID 121226000
tert-butyl 7-oxa-10-azadispiro[2.1.25.33]decane-10-carboxylate
CID 139026509
tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate
CID 175741447
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
tert-butyl 3,3-dibenzylmorpholine-4-carboxylate
CID 70061037

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride (CID 146026801) is tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCOCC12CNC2.Cl.
What is the InChIKey of tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride?
The InChIKey is OVSZHOHSRBKZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-10(2,3)16-9(14)13-4-5-15-8-11(13)6-12-7-11;/h12H,4-8H2,1-3H3;1H.
What are the key properties of tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride?
tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride is sourced from PubChem (CID 146026801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).