3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid

C15H20FNO3 — CID 65261647

IUPAC3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)Cc1ccccc1F)C(C)(C)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-14(2,13(19)20)15(3,4)17-12(18)9-10-7-5-6-8-11(10)16/h5-8H,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyMGKABUCBHSJPOZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.37
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid

3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261647) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65261647
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)Cc1ccccc1F)C(C)(C)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-14(2,13(19)20)15(3,4)17-12(18)9-10-7-5-6-8-11(10)16/h5-8H,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyMGKABUCBHSJPOZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid (CID 65261647) is 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)Cc1ccccc1F)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is MGKABUCBHSJPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-14(2,13(19)20)15(3,4)17-12(18)9-10-7-5-6-8-11(10)16/h5-8H,9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).