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

C11H14N2O4S — CID 43170945

IUPAC1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-7-6-18-11(17)13(7)5-9(14)12-4-2-3-8(12)10(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyOFZFQLHGRSDRMY-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.29
Rot. Bonds3

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

1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43170945) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID43170945
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-7-6-18-11(17)13(7)5-9(14)12-4-2-3-8(12)10(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyOFZFQLHGRSDRMY-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 43170945) is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid is Cc1csc(=O)n1CC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OFZFQLHGRSDRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7-6-18-11(17)13(7)5-9(14)12-4-2-3-8(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-2-carboxylic acid?
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.29, 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-2-carboxylic acid is sourced from PubChem (CID 43170945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).