3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid

C12H13NO4S — CID 43809178

IUPAC3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C(O)c1ccccc1
InChIInChI=1S/C12H13NO4S/c14-10(8-4-2-1-3-5-8)11(15)13-7-18-6-9(13)12(16)17/h1-5,9-10,14H,6-7H2,(H,16,17)
InChIKeyWTOLIOACKIBKCT-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.71
Rot. Bonds3

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

3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43809178) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43809178
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C(O)c1ccccc1
InChIInChI=1S/C12H13NO4S/c14-10(8-4-2-1-3-5-8)11(15)13-7-18-6-9(13)12(16)17/h1-5,9-10,14H,6-7H2,(H,16,17)
InChIKeyWTOLIOACKIBKCT-UHFFFAOYSA-N
XLogP0.71
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 43809178) is 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)C(O)c1ccccc1.
What is the InChIKey of 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WTOLIOACKIBKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c14-10(8-4-2-1-3-5-8)11(15)13-7-18-6-9(13)12(16)17/h1-5,9-10,14H,6-7H2,(H,16,17).
What are the key properties of 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43809178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).