4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid

C14H16FNO4 — CID 66222442

IUPAC4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCc1ccc(F)cc1)NC1COCC1C(=O)O
InChIInChI=1S/C14H16FNO4/c15-10-4-1-9(2-5-10)3-6-13(17)16-12-8-20-7-11(12)14(18)19/h1-2,4-5,11-12H,3,6-8H2,(H,16,17)(H,18,19)
InChIKeyCGXJQJCOHNDGLO-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.97
Rot. Bonds5

About 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid

4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid (PubChem CID 66222442) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid
PubChem CID66222442
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCc1ccc(F)cc1)NC1COCC1C(=O)O
InChIInChI=1S/C14H16FNO4/c15-10-4-1-9(2-5-10)3-6-13(17)16-12-8-20-7-11(12)14(18)19/h1-2,4-5,11-12H,3,6-8H2,(H,16,17)(H,18,19)
InChIKeyCGXJQJCOHNDGLO-UHFFFAOYSA-N
XLogP0.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic 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 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid (CID 66222442) is 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid is O=C(CCc1ccc(F)cc1)NC1COCC1C(=O)O.
What is the InChIKey of 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The InChIKey is CGXJQJCOHNDGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-10-4-1-9(2-5-10)3-6-13(17)16-12-8-20-7-11(12)14(18)19/h1-2,4-5,11-12H,3,6-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid?
4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)propanoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).