2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid

C16H14FNO3 — CID 24860896

IUPAC2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid
SMILESNC(Cc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C16H14FNO3/c17-13-7-5-12(6-8-13)15(19)11-3-1-10(2-4-11)9-14(18)16(20)21/h1-8,14H,9,18H2,(H,20,21)
InChIKeyUFLIEVPKJCLAPR-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.01
Rot. Bonds5

About 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid

2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid (PubChem CID 24860896) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid
PubChem CID24860896
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid
SMILESNC(Cc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C16H14FNO3/c17-13-7-5-12(6-8-13)15(19)11-3-1-10(2-4-11)9-14(18)16(20)21/h1-8,14H,9,18H2,(H,20,21)
InChIKeyUFLIEVPKJCLAPR-UHFFFAOYSA-N
XLogP2.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid (CID 24860896) is 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid is NC(Cc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid?
The InChIKey is UFLIEVPKJCLAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-7-5-12(6-8-13)15(19)11-3-1-10(2-4-11)9-14(18)16(20)21/h1-8,14H,9,18H2,(H,20,21).
What are the key properties of 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid?
2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(4-fluorobenzoyl)phenyl]propanoic acid is sourced from PubChem (CID 24860896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).