2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid

C10H16F3NO3 — CID 65261708

IUPAC2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
SMILESCC(C)(NC(=O)CC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-8(2,7(16)17)9(3,4)14-6(15)5-10(11,12)13/h5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyHAUQXEINLWOSGF-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.94
Rot. Bonds4

About 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid

2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid (PubChem CID 65261708) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
PubChem CID65261708
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
SMILESCC(C)(NC(=O)CC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-8(2,7(16)17)9(3,4)14-6(15)5-10(11,12)13/h5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyHAUQXEINLWOSGF-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid (CID 65261708) is 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid is CC(C)(NC(=O)CC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid?
The InChIKey is HAUQXEINLWOSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-8(2,7(16)17)9(3,4)14-6(15)5-10(11,12)13/h5H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid?
2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid is sourced from PubChem (CID 65261708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).