3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C13H14FNO4S — CID 43172227

IUPAC3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CCOc1ccccc1F
InChIInChI=1S/C13H14FNO4S/c14-9-3-1-2-4-11(9)19-6-5-12(16)15-8-20-7-10(15)13(17)18/h1-4,10H,5-8H2,(H,17,18)
InChIKeyGEYXDKBILVAMOL-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.58
Rot. Bonds5

About 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid

3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172227) has the molecular formula C13H14FNO4S and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172227
Molecular FormulaC13H14FNO4S
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CCOc1ccccc1F
InChIInChI=1S/C13H14FNO4S/c14-9-3-1-2-4-11(9)19-6-5-12(16)15-8-20-7-10(15)13(17)18/h1-4,10H,5-8H2,(H,17,18)
InChIKeyGEYXDKBILVAMOL-UHFFFAOYSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238
3-[3-(2,5-dimethylphenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359237
(4R)-3-(3-phenylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143162
3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 24700572
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371594
3-[3-(3,4-dichlorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359588
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
(4R)-3-[3-(4-chlorophenyl)sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144837
(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61189858
(4R)-3-[2-(2,4-difluorophenoxy)acetyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95159673
(4R)-3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
CID 93310303

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 43172227) is 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)CCOc1ccccc1F.
What is the InChIKey of 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GEYXDKBILVAMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4S/c14-9-3-1-2-4-11(9)19-6-5-12(16)15-8-20-7-10(15)13(17)18/h1-4,10H,5-8H2,(H,17,18).
What are the key properties of 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).