2-acetamido-3-(4-fluorophenoxy)propanoic acid

C11H12FNO4 — CID 65442176

IUPAC2-acetamido-3-(4-fluorophenoxy)propanoic acid
SMILESCC(=O)NC(COc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H12FNO4/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGWIWULVUXJUOSG-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.79
Rot. Bonds5

About 2-acetamido-3-(4-fluorophenoxy)propanoic acid

2-acetamido-3-(4-fluorophenoxy)propanoic acid (PubChem CID 65442176) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-acetamido-3-(4-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-fluorophenoxy)propanoic acid
PubChem CID65442176
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-acetamido-3-(4-fluorophenoxy)propanoic acid
SMILESCC(=O)NC(COc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C11H12FNO4/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGWIWULVUXJUOSG-UHFFFAOYSA-N
XLogP0.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(4-methylsulfanylphenoxy)propanoic acid
CID 65441613
(2R)-3-(4-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 58736947
2-acetamido-3-(3-chloro-4-fluorophenoxy)propanoic acid
CID 65443573
2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid
CID 107663499
2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid
CID 114264196
2-acetamido-3-(2-methylsulfanylphenoxy)propanoic acid
CID 65441415
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
2-acetamido-3-[2-(trifluoromethyl)phenoxy]propanoic acid
CID 65442776
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
2-fluoro-3-(4-fluorophenoxy)propanoic acid
CID 105454089
2-acetamido-3-(2-chlorophenoxy)propanoic acid
CID 65443959
2-acetamido-3-(2-iodophenoxy)propanoic acid
CID 65443376

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-fluorophenoxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-fluorophenoxy)propanoic acid (CID 65442176) is 2-acetamido-3-(4-fluorophenoxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-fluorophenoxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-fluorophenoxy)propanoic acid is CC(=O)NC(COc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(4-fluorophenoxy)propanoic acid?
The InChIKey is GWIWULVUXJUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-3-(4-fluorophenoxy)propanoic acid?
2-acetamido-3-(4-fluorophenoxy)propanoic acid has a molecular weight of 241.22 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-fluorophenoxy)propanoic acid is sourced from PubChem (CID 65442176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).