3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid

C11H12FN3O3 — CID 119258190

IUPAC3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cnc(C(=O)N2CCC(F)(C(=O)O)C2)cn1
InChIInChI=1S/C11H12FN3O3/c1-7-4-14-8(5-13-7)9(16)15-3-2-11(12,6-15)10(17)18/h4-5H,2-3,6H2,1H3,(H,17,18)
InChIKeyUEJMYELSAGGTPU-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.42
Rot. Bonds2

About 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258190) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119258190
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1cnc(C(=O)N2CCC(F)(C(=O)O)C2)cn1
InChIInChI=1S/C11H12FN3O3/c1-7-4-14-8(5-13-7)9(16)15-3-2-11(12,6-15)10(17)18/h4-5H,2-3,6H2,1H3,(H,17,18)
InChIKeyUEJMYELSAGGTPU-UHFFFAOYSA-N
XLogP0.42
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 119258190) is 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid is Cc1cnc(C(=O)N2CCC(F)(C(=O)O)C2)cn1.
What is the InChIKey of 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UEJMYELSAGGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c1-7-4-14-8(5-13-7)9(16)15-3-2-11(12,6-15)10(17)18/h4-5H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).