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

C12H16N2O4S — CID 55166136

IUPAC3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H16N2O4S/c1-8-6-19-11(18)14(8)5-9(15)13-4-3-12(2,7-13)10(16)17/h6H,3-5,7H2,1-2H3,(H,16,17)
InChIKeySVBVRRGCHMJNSW-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.54
Rot. Bonds3

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

3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 55166136) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID55166136
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H16N2O4S/c1-8-6-19-11(18)14(8)5-9(15)13-4-3-12(2,7-13)10(16)17/h6H,3-5,7H2,1-2H3,(H,16,17)
InChIKeySVBVRRGCHMJNSW-UHFFFAOYSA-N
XLogP0.54
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-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 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 55166136) is 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is Cc1csc(=O)n1CC(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SVBVRRGCHMJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-6-19-11(18)14(8)5-9(15)13-4-3-12(2,7-13)10(16)17/h6H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).