3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid

C17H18FNO4 — CID 119237186

IUPAC3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)O
InChIInChI=1S/C17H18FNO4/c1-11(17(21)22)10-19-16(20)9-7-12-6-8-15(23-12)13-4-2-3-5-14(13)18/h2-6,8,11H,7,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyZLTGKSHQJFPGGQ-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.86
Rot. Bonds7

About 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid

3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid (PubChem CID 119237186) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid
PubChem CID119237186
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)O
InChIInChI=1S/C17H18FNO4/c1-11(17(21)22)10-19-16(20)9-7-12-6-8-15(23-12)13-4-2-3-5-14(13)18/h2-6,8,11H,7,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyZLTGKSHQJFPGGQ-UHFFFAOYSA-N
XLogP2.86
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid (CID 119237186) is 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid is CC(CNC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)O.
What is the InChIKey of 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid?
The InChIKey is ZLTGKSHQJFPGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-11(17(21)22)10-19-16(20)9-7-12-6-8-15(23-12)13-4-2-3-5-14(13)18/h2-6,8,11H,7,9-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid?
3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid has a molecular weight of 319.33 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119237186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).