5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid

C8H10F3NO4 — CID 13059345

IUPAC5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid
SMILESCC(=O)NCC(=O)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C8H10F3NO4/c1-4(13)12-3-6(14)5(2-7(15)16)8(9,10)11/h5H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeyHPXWLCJSUJFUGE-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.34
Rot. Bonds5

About 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid

5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid (PubChem CID 13059345) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid
PubChem CID13059345
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid
SMILESCC(=O)NCC(=O)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C8H10F3NO4/c1-4(13)12-3-6(14)5(2-7(15)16)8(9,10)11/h5H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeyHPXWLCJSUJFUGE-UHFFFAOYSA-N
XLogP0.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid (CID 13059345) is 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid is CC(=O)NCC(=O)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid?
The InChIKey is HPXWLCJSUJFUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c1-4(13)12-3-6(14)5(2-7(15)16)8(9,10)11/h5H,2-3H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid?
5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid has a molecular weight of 241.16 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-oxo-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 13059345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).