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

C11H14N2O4S — CID 63030597

IUPAC1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H14N2O4S/c1-7-6-18-11(17)13(7)5-9(14)12-3-2-8(4-12)10(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyRZDINOIGQLMLNI-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.15
Rot. Bonds3

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

1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030597) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID63030597
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H14N2O4S/c1-7-6-18-11(17)13(7)5-9(14)12-3-2-8(4-12)10(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyRZDINOIGQLMLNI-UHFFFAOYSA-N
XLogP0.15
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 63030597) is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is Cc1csc(=O)n1CC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RZDINOIGQLMLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7-6-18-11(17)13(7)5-9(14)12-3-2-8(4-12)10(15)16/h6,8H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).