3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid

C13H14FNO4S — CID 64890580

IUPAC3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CSc1ccccc1F)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H14FNO4S/c14-9-3-1-2-4-10(9)20-7-11(16)15-13(12(17)18)5-6-19-8-13/h1-4H,5-8H2,(H,15,16)(H,17,18)
InChIKeyIFPWFUGRYVZRTJ-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.28
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid

3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64890580) has the molecular formula C13H14FNO4S and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
PubChem CID64890580
Molecular FormulaC13H14FNO4S
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CSc1ccccc1F)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H14FNO4S/c14-9-3-1-2-4-10(9)20-7-11(16)15-13(12(17)18)5-6-19-8-13/h1-4H,5-8H2,(H,15,16)(H,17,18)
InChIKeyIFPWFUGRYVZRTJ-UHFFFAOYSA-N
XLogP1.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]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

Related Compounds

3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890600
3-[[2-(2-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889416
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890387
2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
CID 64672590
3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
CID 104897993
4-[(2-pyridin-4-ylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291568
3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64889000
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786
3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64890946
3-[[2-(3-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889222
3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849539

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid (CID 64890580) is 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid is O=C(CSc1ccccc1F)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is IFPWFUGRYVZRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4S/c14-9-3-1-2-4-10(9)20-7-11(16)15-13(12(17)18)5-6-19-8-13/h1-4H,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 299.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64890580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).