1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid

C11H16N2O2S — CID 63030649

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncsc1CCN1CCC(C(=O)O)C1
InChIInChI=1S/C11H16N2O2S/c1-8-10(16-7-12-8)3-5-13-4-2-9(6-13)11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyUUFYIOZPZMZKQS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030649) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID63030649
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCc1ncsc1CCN1CCC(C(=O)O)C1
InChIInChI=1S/C11H16N2O2S/c1-8-10(16-7-12-8)3-5-13-4-2-9(6-13)11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyUUFYIOZPZMZKQS-UHFFFAOYSA-N
XLogP1.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 63030649) is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid is Cc1ncsc1CCN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UUFYIOZPZMZKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-10(16-7-12-8)3-5-13-4-2-9(6-13)11(14)15/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid?
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).