methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate

C11H17NO3 — CID 112581611

IUPACmethyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C1CC2CCC1O2
InChIInChI=1S/C11H17NO3/c1-14-11(13)8-4-5-12(8)9-6-7-2-3-10(9)15-7/h7-10H,2-6H2,1H3
InChIKeyQBQXPZZEPKSURJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.55
Rot. Bonds2

About methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate

methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate (PubChem CID 112581611) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate
PubChem CID112581611
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C1CC2CCC1O2
InChIInChI=1S/C11H17NO3/c1-14-11(13)8-4-5-12(8)9-6-7-2-3-10(9)15-7/h7-10H,2-6H2,1H3
InChIKeyQBQXPZZEPKSURJ-UHFFFAOYSA-N
XLogP0.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
CID 112581433
methyl 1-(1,1-dioxothietan-3-yl)azetidine-2-carboxylate
CID 127014959
methyl 2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclobutane-1-carboxylate
CID 136542022
methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate
CID 146329427
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
CID 80721194
methyl 1-methoxyazetidine-2-carboxylate
CID 559283
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl (2S,3aR,5R,7aS)-4-(2-amino-2-oxoethyl)-5-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-2-carboxylate
CID 124856045
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998

Frequently Asked Questions

What is the IUPAC name of methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate (CID 112581611) is methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate is COC(=O)C1CCN1C1CC2CCC1O2.
What is the InChIKey of methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate?
The InChIKey is QBQXPZZEPKSURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-11(13)8-4-5-12(8)9-6-7-2-3-10(9)15-7/h7-10H,2-6H2,1H3.
What are the key properties of methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate?
methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate is sourced from PubChem (CID 112581611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).