3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid

C9H11FN2O2 — CID 55272157

IUPAC3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid
SMILESCC(N)(CC(=O)O)c1cccc(F)n1
InChIInChI=1S/C9H11FN2O2/c1-9(11,5-8(13)14)6-3-2-4-7(10)12-6/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyZXJQKMRXHMMLOS-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.87
Rot. Bonds3

About 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid

3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid (PubChem CID 55272157) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid
PubChem CID55272157
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid
SMILESCC(N)(CC(=O)O)c1cccc(F)n1
InChIInChI=1S/C9H11FN2O2/c1-9(11,5-8(13)14)6-3-2-4-7(10)12-6/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyZXJQKMRXHMMLOS-UHFFFAOYSA-N
XLogP0.87
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-3-(6-fluoro-2-pyridinyl)butanoic 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-amino-3-(6-fluoro-2-pyridinyl)butanoic acid?
The IUPAC name of 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid (CID 55272157) is 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid.
What is the SMILES notation for 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid?
The canonical SMILES for 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid is CC(N)(CC(=O)O)c1cccc(F)n1.
What is the InChIKey of 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid?
The InChIKey is ZXJQKMRXHMMLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-9(11,5-8(13)14)6-3-2-4-7(10)12-6/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid?
3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid has a molecular weight of 198.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid is sourced from PubChem (CID 55272157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).