2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid

C13H23NO3 — CID 102659757

IUPAC2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid
SMILESCC1CCC(N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C13H23NO3/c1-10-3-5-11(6-4-10)14-8-13(2,9-14)17-7-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXZGMUDJMUJSYRQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds4

About 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102659757) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid
PubChem CID102659757
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid
SMILESCC1CCC(N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C13H23NO3/c1-10-3-5-11(6-4-10)14-8-13(2,9-14)17-7-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXZGMUDJMUJSYRQ-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-1-(3-methylcyclopentyl)azetidin-3-yl]oxyacetic acid
CID 102659987
2-[1-(1-cyclopropylpyrrolidin-3-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659879
2-[1-(4-ethylcycloheptyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659847
2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660077
2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid
CID 102660136
2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659924
2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659906
2-[1-(4-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64747382
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218
2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657755
2-[1-(4-aminocyclohexanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658225
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid (CID 102659757) is 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid is CC1CCC(N2CC(C)(OCC(=O)O)C2)CC1.
What is the InChIKey of 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is XZGMUDJMUJSYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-3-5-11(6-4-10)14-8-13(2,9-14)17-7-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).