3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid

C12H17FN2O4S — CID 119258597

IUPAC3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC(=O)N1CSCC1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C12H17FN2O4S/c1-2-9(16)15-7-20-5-8(15)10(17)14-4-3-12(13,6-14)11(18)19/h8H,2-7H2,1H3,(H,18,19)
InChIKeyIFJQUAZCWCWAGG-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.32
Rot. Bonds3

About 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258597) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119258597
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC(=O)N1CSCC1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C12H17FN2O4S/c1-2-9(16)15-7-20-5-8(15)10(17)14-4-3-12(13,6-14)11(18)19/h8H,2-7H2,1H3,(H,18,19)
InChIKeyIFJQUAZCWCWAGG-UHFFFAOYSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-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 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258597) is 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid is CCC(=O)N1CSCC1C(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IFJQUAZCWCWAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-2-9(16)15-7-20-5-8(15)10(17)14-4-3-12(13,6-14)11(18)19/h8H,2-7H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 304.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).