4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C15H20FNO4 — CID 87748817

IUPAC4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OC(CCC(=O)O)(NC=O)c1ccccc1F
InChIInChI=1S/C15H20FNO4/c1-14(2,3)21-15(17-10-18,9-8-13(19)20)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyXXFCHYIVPXHUBB-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.40
Rot. Bonds7

About 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid

4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 87748817) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID87748817
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OC(CCC(=O)O)(NC=O)c1ccccc1F
InChIInChI=1S/C15H20FNO4/c1-14(2,3)21-15(17-10-18,9-8-13(19)20)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyXXFCHYIVPXHUBB-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 87748817) is 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid is CC(C)(C)OC(CCC(=O)O)(NC=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is XXFCHYIVPXHUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-14(2,3)21-15(17-10-18,9-8-13(19)20)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-formamido-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 87748817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).