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

C11H20N2O3 — CID 102660136

IUPAC2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid
SMILESCN1CCC(N2CC(C)(OCC(=O)O)C2)C1
InChIInChI=1S/C11H20N2O3/c1-11(16-6-10(14)15)7-13(8-11)9-3-4-12(2)5-9/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyXADWBEPKZPVRLW-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.13
Rot. Bonds4

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

2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid (PubChem CID 102660136) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid
PubChem CID102660136
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid
SMILESCN1CCC(N2CC(C)(OCC(=O)O)C2)C1
InChIInChI=1S/C11H20N2O3/c1-11(16-6-10(14)15)7-13(8-11)9-3-4-12(2)5-9/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyXADWBEPKZPVRLW-UHFFFAOYSA-N
XLogP-0.13
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-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-[1-(1-cyclopropylpyrrolidin-3-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659879
2-[1-(1,2-dimethylpiperidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660077
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-(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-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[1-(4-aminocyclohexanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658225
2-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659203
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657218
2-[1-[2-(azetidin-3-yl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658206

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid (CID 102660136) is 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid is CN1CCC(N2CC(C)(OCC(=O)O)C2)C1.
What is the InChIKey of 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid?
The InChIKey is XADWBEPKZPVRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(16-6-10(14)15)7-13(8-11)9-3-4-12(2)5-9/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid has a molecular weight of 228.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102660136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).