2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid

C13H21NO4 — CID 102657235

IUPAC2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C13H21NO4/c1-13(18-7-12(16)17)8-14(9-13)11(15)6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeyBHIZOGNRJXWGFY-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657235) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657235
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C13H21NO4/c1-13(18-7-12(16)17)8-14(9-13)11(15)6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,16,17)
InChIKeyBHIZOGNRJXWGFY-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-cyclopentylacetyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657235) is 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)CC2CCCC2)C1.
What is the InChIKey of 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is BHIZOGNRJXWGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(18-7-12(16)17)8-14(9-13)11(15)6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentylacetyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).