2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid

C9H14FNO2 — CID 105442530

IUPAC2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid
SMILESCN1CC=C(C(C)(F)C(=O)O)CC1
InChIInChI=1S/C9H14FNO2/c1-9(10,8(12)13)7-3-5-11(2)6-4-7/h3H,4-6H2,1-2H3,(H,12,13)
InChIKeyJKJWAAYDEGCWCC-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.06
Rot. Bonds2

About 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid

2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid (PubChem CID 105442530) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid
PubChem CID105442530
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid
SMILESCN1CC=C(C(C)(F)C(=O)O)CC1
InChIInChI=1S/C9H14FNO2/c1-9(10,8(12)13)7-3-5-11(2)6-4-7/h3H,4-6H2,1-2H3,(H,12,13)
InChIKeyJKJWAAYDEGCWCC-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic 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 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid?
The IUPAC name of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid (CID 105442530) is 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid.
What is the SMILES notation for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid?
The canonical SMILES for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid is CN1CC=C(C(C)(F)C(=O)O)CC1.
What is the InChIKey of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid?
The InChIKey is JKJWAAYDEGCWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-9(10,8(12)13)7-3-5-11(2)6-4-7/h3H,4-6H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid?
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid has a molecular weight of 187.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propanoic acid is sourced from PubChem (CID 105442530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).