3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid

C16H22FNO3 — CID 82352285

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid
SMILESCC1CN(C(CC(=O)O)Cc2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C16H22FNO3/c1-11-9-18(10-12(2)21-11)15(8-16(19)20)7-13-3-5-14(17)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyIZMJJKYAACSKDQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.32
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid

3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid (PubChem CID 82352285) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid
PubChem CID82352285
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid
SMILESCC1CN(C(CC(=O)O)Cc2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C16H22FNO3/c1-11-9-18(10-12(2)21-11)15(8-16(19)20)7-13-3-5-14(17)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyIZMJJKYAACSKDQ-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic 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 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid (CID 82352285) is 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid is CC1CN(C(CC(=O)O)Cc2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid?
The InChIKey is IZMJJKYAACSKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-11-9-18(10-12(2)21-11)15(8-16(19)20)7-13-3-5-14(17)6-4-13/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid?
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid has a molecular weight of 295.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)butanoic acid is sourced from PubChem (CID 82352285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).