methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate

C14H25NO2 — CID 146329427

IUPACmethyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C1CCCCCC(C)C1
InChIInChI=1S/C14H25NO2/c1-11-6-4-3-5-7-12(10-11)15-9-8-13(15)14(16)17-2/h11-13H,3-10H2,1-2H3
InChIKeyAFSUTWIWTYZMCO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds2

About methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate

methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate (PubChem CID 146329427) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate
PubChem CID146329427
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C1CCCCCC(C)C1
InChIInChI=1S/C14H25NO2/c1-11-6-4-3-5-7-12(10-11)15-9-8-13(15)14(16)17-2/h11-13H,3-10H2,1-2H3
InChIKeyAFSUTWIWTYZMCO-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate
CID 113330914
methyl 1-(1,1-dioxothietan-3-yl)azetidine-2-carboxylate
CID 127014959
methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
CID 112581433
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
CID 115537940
methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
CID 170423315
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl 1-(1-benzylpiperidin-3-yl)azetidine-2-carboxylate
CID 115937759
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate (CID 146329427) is methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate is COC(=O)C1CCN1C1CCCCCC(C)C1.
What is the InChIKey of methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate?
The InChIKey is AFSUTWIWTYZMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-6-4-3-5-7-12(10-11)15-9-8-13(15)14(16)17-2/h11-13H,3-10H2,1-2H3.
What are the key properties of methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate?
methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate is sourced from PubChem (CID 146329427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).