4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid

C14H15F2NO4 — CID 66222704

IUPAC4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCc1ccc(F)c(F)c1)NC1COCC1C(=O)O
InChIInChI=1S/C14H15F2NO4/c15-10-3-1-8(5-11(10)16)2-4-13(18)17-12-7-21-6-9(12)14(19)20/h1,3,5,9,12H,2,4,6-7H2,(H,17,18)(H,19,20)
InChIKeyJKTWANLJRFCPTC-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.11
Rot. Bonds5

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

4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid (PubChem CID 66222704) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid
PubChem CID66222704
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid
SMILESO=C(CCc1ccc(F)c(F)c1)NC1COCC1C(=O)O
InChIInChI=1S/C14H15F2NO4/c15-10-3-1-8(5-11(10)16)2-4-13(18)17-12-7-21-6-9(12)14(19)20/h1,3,5,9,12H,2,4,6-7H2,(H,17,18)(H,19,20)
InChIKeyJKTWANLJRFCPTC-UHFFFAOYSA-N
XLogP1.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(3,4-difluorophenyl)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-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid (CID 66222704) is 4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid is O=C(CCc1ccc(F)c(F)c1)NC1COCC1C(=O)O.
What is the InChIKey of 4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid?
The InChIKey is JKTWANLJRFCPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-10-3-1-8(5-11(10)16)2-4-13(18)17-12-7-21-6-9(12)14(19)20/h1,3,5,9,12H,2,4,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid?
4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-difluorophenyl)propanoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).