2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid

C15H18FNO4 — CID 102657184

IUPAC2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO4/c1-15(21-8-14(19)20)9-17(10-15)13(18)7-4-11-2-5-12(16)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,19,20)
InChIKeyXEOSLPSHZYWLNG-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.46
Rot. Bonds6

About 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657184) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657184
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO4/c1-15(21-8-14(19)20)9-17(10-15)13(18)7-4-11-2-5-12(16)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,19,20)
InChIKeyXEOSLPSHZYWLNG-UHFFFAOYSA-N
XLogP1.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[3-(4-fluorophenyl)propanoyl]-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-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102657184) is 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)CCc2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is XEOSLPSHZYWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-15(21-8-14(19)20)9-17(10-15)13(18)7-4-11-2-5-12(16)6-3-11/h2-3,5-6H,4,7-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 295.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-fluorophenyl)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).