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

C13H14FNO4S — CID 43359403

IUPAC3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(Oc1ccccc1F)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C13H14FNO4S/c1-8(19-11-5-3-2-4-9(11)14)12(16)15-7-20-6-10(15)13(17)18/h2-5,8,10H,6-7H2,1H3,(H,17,18)
InChIKeyPYARWVHYKMTFOG-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.58
Rot. Bonds4

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

3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359403) has the molecular formula C13H14FNO4S and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359403
Molecular FormulaC13H14FNO4S
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(Oc1ccccc1F)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C13H14FNO4S/c1-8(19-11-5-3-2-4-9(11)14)12(16)15-7-20-6-10(15)13(17)18/h2-5,8,10H,6-7H2,1H3,(H,17,18)
InChIKeyPYARWVHYKMTFOG-UHFFFAOYSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 43359403) is 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid is CC(Oc1ccccc1F)C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PYARWVHYKMTFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4S/c1-8(19-11-5-3-2-4-9(11)14)12(16)15-7-20-6-10(15)13(17)18/h2-5,8,10H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).