2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid

C13H24N2O3 — CID 102660077

IUPAC2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1CC(N2CC(C)(OCC(=O)O)C2)CCN1C
InChIInChI=1S/C13H24N2O3/c1-10-6-11(4-5-14(10)3)15-8-13(2,9-15)18-7-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyWMFYIXZQVIBCPF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.64
Rot. Bonds4

About 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102660077) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102660077
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1CC(N2CC(C)(OCC(=O)O)C2)CCN1C
InChIInChI=1S/C13H24N2O3/c1-10-6-11(4-5-14(10)3)15-8-13(2,9-15)18-7-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyWMFYIXZQVIBCPF-UHFFFAOYSA-N
XLogP0.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methyl-1-(3-methylcyclopentyl)azetidin-3-yl]oxyacetic acid
CID 102659987
2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid
CID 102660136
2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid
CID 102659757
2-[1-(1-cyclopropylpyrrolidin-3-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659879
2-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659924
2-[1-(4-ethylcycloheptyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659847
2-[1-(2-ethyl-2-methyloxan-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659906
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
2-[1-(1,2-dimethylpiperidin-4-yl)azetidin-3-yl]propanoic acid
CID 116684717
2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658909
2-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659203
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102660077) is 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid is CC1CC(N2CC(C)(OCC(=O)O)C2)CCN1C.
What is the InChIKey of 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is WMFYIXZQVIBCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-6-11(4-5-14(10)3)15-8-13(2,9-15)18-7-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 256.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102660077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).