3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid

C11H15N3O2S — CID 122052560

IUPAC3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCSc1cncc(N2CCC(C)(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O2S/c1-11(10(15)16)3-4-14(7-11)8-5-12-6-9(13-8)17-2/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeySRXHZZQYNUZHNX-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.50
Rot. Bonds3

About 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid

3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122052560) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID122052560
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid
SMILESCSc1cncc(N2CCC(C)(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O2S/c1-11(10(15)16)3-4-14(7-11)8-5-12-6-9(13-8)17-2/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeySRXHZZQYNUZHNX-UHFFFAOYSA-N
XLogP1.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)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-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid (CID 122052560) is 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid is CSc1cncc(N2CCC(C)(C(=O)O)C2)n1.
What is the InChIKey of 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is SRXHZZQYNUZHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(10(15)16)3-4-14(7-11)8-5-12-6-9(13-8)17-2/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 253.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).