methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate

C11H19NO3 — CID 112581433

IUPACmethyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C1CCCCC1O
InChIInChI=1S/C11H19NO3/c1-15-11(14)9-6-7-12(9)8-4-2-3-5-10(8)13/h8-10,13H,2-7H2,1H3
InChIKeyQGKNQOKUQGDDLW-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.54
Rot. Bonds2

About methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate

methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate (PubChem CID 112581433) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
PubChem CID112581433
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C1CCCCC1O
InChIInChI=1S/C11H19NO3/c1-15-11(14)9-6-7-12(9)8-4-2-3-5-10(8)13/h8-10,13H,2-7H2,1H3
InChIKeyQGKNQOKUQGDDLW-UHFFFAOYSA-N
XLogP0.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate
CID 104774968
ethyl 1-(2-hydroxycyclohexyl)pyrrolidine-2-carboxylate
CID 62028179
ethyl 1-(2-hydroxycyclopentyl)piperidine-2-carboxylate
CID 115279765
methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
CID 63382875
methyl 1-(7-oxabicyclo[2.2.1]heptan-2-yl)azetidine-2-carboxylate
CID 112581611
methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate
CID 146329427
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579
methyl 1-(1,1-dioxothietan-3-yl)azetidine-2-carboxylate
CID 127014959
methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate
CID 115537096
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-(2-hydroxycyclohexyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate (CID 112581433) is methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate is COC(=O)C1CCN1C1CCCCC1O.
What is the InChIKey of methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate?
The InChIKey is QGKNQOKUQGDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-11(14)9-6-7-12(9)8-4-2-3-5-10(8)13/h8-10,13H,2-7H2,1H3.
What are the key properties of methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate?
methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate is sourced from PubChem (CID 112581433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).