3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H21NO4S — CID 114824462

IUPAC3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1COC(C)C1
InChIInChI=1S/C13H21NO4S/c1-3-4-11-14(10(7-19-11)13(16)17)12(15)9-5-8(2)18-6-9/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyUFJXRPSNIQIMLR-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.57
Rot. Bonds4

About 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114824462) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID114824462
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1COC(C)C1
InChIInChI=1S/C13H21NO4S/c1-3-4-11-14(10(7-19-11)13(16)17)12(15)9-5-8(2)18-6-9/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyUFJXRPSNIQIMLR-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64823092
3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779835
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64568961
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-[(3-methylcyclopentyl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107414469
3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780721
2-propyl-3-sulfamoyl-1,3-thiazolidine-4-carboxylic acid
CID 114958890

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 114824462) is 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)C1COC(C)C1.
What is the InChIKey of 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UFJXRPSNIQIMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-3-4-11-14(10(7-19-11)13(16)17)12(15)9-5-8(2)18-6-9/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114824462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).