2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid

C11H15F6NO3 — CID 103309213

IUPAC2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid
SMILESCC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H15F6NO3/c1-8(2,7(20)21)9(3,4)18-6(19)5(10(12,13)14)11(15,16)17/h5H,1-4H3,(H,18,19)(H,20,21)
InChIKeyJNFVQTHJHVSJFZ-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.73
Rot. Bonds4

About 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid

2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid (PubChem CID 103309213) has the molecular formula C11H15F6NO3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid
PubChem CID103309213
Molecular FormulaC11H15F6NO3
Molecular Weight323.23 g/mol
Exact Mass323.10
IUPAC Name2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid
SMILESCC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H15F6NO3/c1-8(2,7(20)21)9(3,4)18-6(19)5(10(12,13)14)11(15,16)17/h5H,1-4H3,(H,18,19)(H,20,21)
InChIKeyJNFVQTHJHVSJFZ-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-3-(trifluoroacetamido)butanoic acid
CID 64670942
3-Methyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 64673267
2,2,3-Trimethyl-3-(trifluoroacetamido)butanoic acid
CID 65261461
2,2,3-Trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 65261708
3-Methyl-3-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 65710893
2,2,3-Trimethyl-3-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 65711710
3-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid
CID 79812038
methyl (2R,3S)-3-acetamido-4,4,4-trifluoro-2,3-dimethylbutanoate
CID 102282389
3-Methyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid
CID 103309205
3-[(2,2-Difluoroacetyl)amino]-3-methylbutanoic acid
CID 103513329
3-[(2,2-Difluoroacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 103513341
3,3-Dimethyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]butanoic acid
CID 106216688

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid (CID 103309213) is 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid is CC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid?
The InChIKey is JNFVQTHJHVSJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO3/c1-8(2,7(20)21)9(3,4)18-6(19)5(10(12,13)14)11(15,16)17/h5H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid has a molecular weight of 323.23 g/mol, XLogP of 2.73, 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-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 103309213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).