(4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid

C15H19NO4S — CID 61143315

IUPAC(4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)c1cccc(OCC(=O)N2CSC[C@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4S/c1-10(2)11-4-3-5-12(6-11)20-7-14(17)16-9-21-8-13(16)15(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyHSZJRNYBZATVDM-ZDUSSCGKSA-N
MW309.39 g/mol
LogP2.17
Rot. Bonds5

About (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143315) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143315
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name(4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)c1cccc(OCC(=O)N2CSC[C@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4S/c1-10(2)11-4-3-5-12(6-11)20-7-14(17)16-9-21-8-13(16)15(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyHSZJRNYBZATVDM-ZDUSSCGKSA-N
XLogP2.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 24700572
3-[2-(3,4-dichlorophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359414
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 66262261
(4R)-3-[2-(4-nitrophenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144709
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119634469
propyl 3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylate
CID 42744512
3-[2-(3-chlorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359196
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 53211524
3-[3-(3,4-dichlorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359588
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(4R)-3-(3-phenylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143162

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 61143315) is (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid is CC(C)c1cccc(OCC(=O)N2CSC[C@H]2C(=O)O)c1.
What is the InChIKey of (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HSZJRNYBZATVDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-10(2)11-4-3-5-12(6-11)20-7-14(17)16-9-21-8-13(16)15(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).