4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid

C14H16FNO4 — CID 66236334

IUPAC4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)Cc1ccc(F)cc1)C1COCC1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-16(12-8-20-7-11(12)14(18)19)13(17)6-9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,18,19)
InChIKeyRFTQOYDYONXWIV-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.93
Rot. Bonds4

About 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid

4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236334) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66236334
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)Cc1ccc(F)cc1)C1COCC1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-16(12-8-20-7-11(12)14(18)19)13(17)6-9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,18,19)
InChIKeyRFTQOYDYONXWIV-UHFFFAOYSA-N
XLogP0.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-fluorophenyl)acetyl]-methylamino]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-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid (CID 66236334) is 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid is CN(C(=O)Cc1ccc(F)cc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is RFTQOYDYONXWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-16(12-8-20-7-11(12)14(18)19)13(17)6-9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,18,19).
What are the key properties of 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid?
4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)acetyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).