2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid

C14H25NO4 — CID 102659906

IUPAC2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCC1(C)CC(N2CC(C)(OCC(=O)O)C2)CCO1
InChIInChI=1S/C14H25NO4/c1-4-13(2)7-11(5-6-18-13)15-9-14(3,10-15)19-8-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyIYFXOVGXMWTGDZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.51
Rot. Bonds5

About 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659906) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659906
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCC1(C)CC(N2CC(C)(OCC(=O)O)C2)CCO1
InChIInChI=1S/C14H25NO4/c1-4-13(2)7-11(5-6-18-13)15-9-14(3,10-15)19-8-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyIYFXOVGXMWTGDZ-UHFFFAOYSA-N
XLogP1.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid
CID 102659757
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-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid
CID 102660136
2-[1-(4-ethylcycloheptyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659847
1-(2-ethyl-2-methyloxan-4-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064913
2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660077
2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659924
1-(2-ethyl-2-methyloxan-4-yl)-N,4-dimethylpiperidin-4-amine
CID 113282868
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
CID 102657811
2-[cyclopropyl-(2-ethyl-2-methyloxan-4-yl)amino]acetic acid
CID 65057470
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060205

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102659906) is 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid is CCC1(C)CC(N2CC(C)(OCC(=O)O)C2)CCO1.
What is the InChIKey of 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is IYFXOVGXMWTGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-13(2)7-11(5-6-18-13)15-9-14(3,10-15)19-8-12(16)17/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).