(3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid

C9H10FN3O2 — CID 155285137

IUPAC(3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(c2cncc(F)n2)C1
InChIInChI=1S/C9H10FN3O2/c10-7-3-11-4-8(12-7)13-2-1-6(5-13)9(14)15/h3-4,6H,1-2,5H2,(H,14,15)/t6-/m0/s1
InChIKeyBUWLAARNSDEYCZ-LURJTMIESA-N
MW211.20 g/mol
LogP0.53
Rot. Bonds2

About (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid

(3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 155285137) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID155285137
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name(3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(c2cncc(F)n2)C1
InChIInChI=1S/C9H10FN3O2/c10-7-3-11-4-8(12-7)13-2-1-6(5-13)9(14)15/h3-4,6H,1-2,5H2,(H,14,15)/t6-/m0/s1
InChIKeyBUWLAARNSDEYCZ-LURJTMIESA-N
XLogP0.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(6-fluoropyrazin-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 (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid (CID 155285137) is (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(c2cncc(F)n2)C1.
What is the InChIKey of (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is BUWLAARNSDEYCZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-7-3-11-4-8(12-7)13-2-1-6(5-13)9(14)15/h3-4,6H,1-2,5H2,(H,14,15)/t6-/m0/s1.
What are the key properties of (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid?
(3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 155285137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).