tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate

C12H22N2O3 — CID 67354905

IUPACtert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCNCC1COC2
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-9-4-5-13-6-10(14)8-16-7-9/h9-10,13H,4-8H2,1-3H3
InChIKeyFQECAYIXVHVQPO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds

About tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate

tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate (PubChem CID 67354905) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate
PubChem CID67354905
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCNCC1COC2
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-9-4-5-13-6-10(14)8-16-7-9/h9-10,13H,4-8H2,1-3H3
InChIKeyFQECAYIXVHVQPO-UHFFFAOYSA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329
1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone
CID 146602397
tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;oxalic acid
CID 175718664
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;hydrochloride
CID 71721058
tert-butyl 3-(oxetan-3-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 169121258
(1R,5R)-9-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 98241786
tert-butyl 7-(cyclopentanecarbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938788
tert-butyl 3,8-diazabicyclo[4.2.1]nonane-8-carboxylate
CID 134513947
9-O-tert-butyl 7-O-methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylate
CID 122411578
tert-butyl 7-(aminomethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 117275876
tert-butyl 7-(sulfanylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937337
tert-butyl 7-cycloheptyl-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171964963

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate?
The IUPAC name of tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate (CID 67354905) is tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate.
What is the SMILES notation for tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate?
The canonical SMILES for tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate is CC(C)(C)OC(=O)N1C2CCNCC1COC2.
What is the InChIKey of tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate?
The InChIKey is FQECAYIXVHVQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-9-4-5-13-6-10(14)8-16-7-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate?
tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.98, 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-3,10-diazabicyclo[4.3.1]decane-10-carboxylate is sourced from PubChem (CID 67354905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).