(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

C14H17NO4S — CID 23877584

IUPAC(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1ccc(C2SC[C@@H](C(=O)O)N2C(C)=O)cc1
InChIInChI=1S/C14H17NO4S/c1-3-19-11-6-4-10(5-7-11)13-15(9(2)16)12(8-20-13)14(17)18/h4-7,12-13H,3,8H2,1-2H3,(H,17,18)/t12-,13?/m0/s1
InChIKeyLRHOSHQKFFUJFK-UEWDXFNNSA-N
MW295.36 g/mol
LogP2.13
Rot. Bonds4

About (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 23877584) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID23877584
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOc1ccc(C2SC[C@@H](C(=O)O)N2C(C)=O)cc1
InChIInChI=1S/C14H17NO4S/c1-3-19-11-6-4-10(5-7-11)13-15(9(2)16)12(8-20-13)14(17)18/h4-7,12-13H,3,8H2,1-2H3,(H,17,18)/t12-,13?/m0/s1
InChIKeyLRHOSHQKFFUJFK-UEWDXFNNSA-N
XLogP2.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 23877584) is (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is CCOc1ccc(C2SC[C@@H](C(=O)O)N2C(C)=O)cc1.
What is the InChIKey of (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LRHOSHQKFFUJFK-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-3-19-11-6-4-10(5-7-11)13-15(9(2)16)12(8-20-13)14(17)18/h4-7,12-13H,3,8H2,1-2H3,(H,17,18)/t12-,13?/m0/s1.
What are the key properties of (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-acetyl-2-(4-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 23877584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).