3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid

C13H21NO3S — CID 63791676

IUPAC3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)CC1CCCC1
InChIInChI=1S/C13H21NO3S/c1-2-12-14(10(8-18-12)13(16)17)11(15)7-9-5-3-4-6-9/h9-10,12H,2-8H2,1H3,(H,16,17)
InChIKeyFPDIFEMIOKOCSL-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.33
Rot. Bonds4

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

3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791676) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791676
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)CC1CCCC1
InChIInChI=1S/C13H21NO3S/c1-2-12-14(10(8-18-12)13(16)17)11(15)7-9-5-3-4-6-9/h9-10,12H,2-8H2,1H3,(H,16,17)
InChIKeyFPDIFEMIOKOCSL-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
3-[2-[1-(aminomethyl)cyclobutyl]acetyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 81168702
3-(2-cyclohexylethylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781453
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
2-ethyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792537
2-ethyl-3-[3-(oxan-2-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63951515
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
3-[cyclohexyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780503
3-(4-ethoxy-4-oxobutanoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63790593
2-ethyl-3-(3-propoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791513
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 63791676) is 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)CC1CCCC1.
What is the InChIKey of 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FPDIFEMIOKOCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-2-12-14(10(8-18-12)13(16)17)11(15)7-9-5-3-4-6-9/h9-10,12H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).