1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H17FN2O3 — CID 106982584

IUPAC1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)c2cccc(F)n2)C1
InChIInChI=1S/C14H17FN2O3/c1-9(2)14(13(19)20)6-7-17(8-14)12(18)10-4-3-5-11(15)16-10/h3-5,9H,6-8H2,1-2H3,(H,19,20)
InChIKeyCYMKYMCNSFFYGG-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.79
Rot. Bonds3

About 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106982584) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106982584
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)c2cccc(F)n2)C1
InChIInChI=1S/C14H17FN2O3/c1-9(2)14(13(19)20)6-7-17(8-14)12(18)10-4-3-5-11(15)16-10/h3-5,9H,6-8H2,1-2H3,(H,19,20)
InChIKeyCYMKYMCNSFFYGG-UHFFFAOYSA-N
XLogP1.79
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-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 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106982584) is 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)c2cccc(F)n2)C1.
What is the InChIKey of 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is CYMKYMCNSFFYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9(2)14(13(19)20)6-7-17(8-14)12(18)10-4-3-5-11(15)16-10/h3-5,9H,6-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyridine-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106982584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).