3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid

C12H13NO4S — CID 24700572

IUPAC3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)COc1ccccc1
InChIInChI=1S/C12H13NO4S/c14-11(6-17-9-4-2-1-3-5-9)13-8-18-7-10(13)12(15)16/h1-5,10H,6-8H2,(H,15,16)
InChIKeyKZVBZFVDBZVECY-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.05
Rot. Bonds4

About 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24700572) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID24700572
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)COc1ccccc1
InChIInChI=1S/C12H13NO4S/c14-11(6-17-9-4-2-1-3-5-9)13-8-18-7-10(13)12(15)16/h1-5,10H,6-8H2,(H,15,16)
InChIKeyKZVBZFVDBZVECY-UHFFFAOYSA-N
XLogP1.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[2-(4-nitrophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144709
(4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143315
propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate
CID 42744512
3-[2-(3,4-dichlorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359414
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
(4R)-3-(3-phenylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143162
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172227
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
3-[2-(4-ethoxyphenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359228
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-[3-(3,4-dichlorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359588

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 24700572) is 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)COc1ccccc1.
What is the InChIKey of 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KZVBZFVDBZVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c14-11(6-17-9-4-2-1-3-5-9)13-8-18-7-10(13)12(15)16/h1-5,10H,6-8H2,(H,15,16).
What are the key properties of 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24700572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).