2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid

C15H14FNO2 — CID 89227450

IUPAC2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid
SMILESNc1ccc(C(Cc2ccccc2)C(=O)O)cc1F
InChIInChI=1S/C15H14FNO2/c16-13-9-11(6-7-14(13)17)12(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,12H,8,17H2,(H,18,19)
InChIKeyTTZVXNQBGZALQQ-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid

2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid (PubChem CID 89227450) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid
PubChem CID89227450
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid
SMILESNc1ccc(C(Cc2ccccc2)C(=O)O)cc1F
InChIInChI=1S/C15H14FNO2/c16-13-9-11(6-7-14(13)17)12(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,12H,8,17H2,(H,18,19)
InChIKeyTTZVXNQBGZALQQ-UHFFFAOYSA-N
XLogP2.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid?
The IUPAC name of 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid (CID 89227450) is 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid is Nc1ccc(C(Cc2ccccc2)C(=O)O)cc1F.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid?
The InChIKey is TTZVXNQBGZALQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-9-11(6-7-14(13)17)12(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,12H,8,17H2,(H,18,19).
What are the key properties of 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid?
2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid has a molecular weight of 259.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 89227450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).