2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid

C15H15FN2O2 — CID 117048965

IUPAC2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
SMILESCC(Cc1ccncc1)(C(=O)O)c1cc(F)ccc1N
InChIInChI=1S/C15H15FN2O2/c1-15(14(19)20,9-10-4-6-18-7-5-10)12-8-11(16)2-3-13(12)17/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeyVDESAVBLALOVQE-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.39
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid

2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid (PubChem CID 117048965) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
PubChem CID117048965
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
SMILESCC(Cc1ccncc1)(C(=O)O)c1cc(F)ccc1N
InChIInChI=1S/C15H15FN2O2/c1-15(14(19)20,9-10-4-6-18-7-5-10)12-8-11(16)2-3-13(12)17/h2-8H,9,17H2,1H3,(H,19,20)
InChIKeyVDESAVBLALOVQE-UHFFFAOYSA-N
XLogP2.39
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048944
2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049145
2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride
CID 117047854
2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline
CID 117048235
2-(4-amino-3-pyridinyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833173
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
2-(2,5-difluorophenyl)-2-methylpentanedioic acid
CID 117050123
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122
2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid
CID 117047700
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048325
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid (CID 117048965) is 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid is CC(Cc1ccncc1)(C(=O)O)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid?
The InChIKey is VDESAVBLALOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-15(14(19)20,9-10-4-6-18-7-5-10)12-8-11(16)2-3-13(12)17/h2-8H,9,17H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid?
2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid has a molecular weight of 274.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 117048965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).