3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid

C11H19F3N2O3 — CID 79812038

IUPAC3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)C(C)(N)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-8(2,7(18)19)9(3,4)16-6(17)10(5,15)11(12,13)14/h15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyTWNOBFOZNQBLQV-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.27
Rot. Bonds4

About 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid

3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 79812038) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID79812038
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)C(C)(N)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-8(2,7(18)19)9(3,4)16-6(17)10(5,15)11(12,13)14/h15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyTWNOBFOZNQBLQV-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,2,3-Trimethyl-3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid
CID 65265746
2,2,3-Trimethyl-3-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 65711710
2,2,3-Trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79260930
3-Methyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79261103
2-[(3-Amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798231
3-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 79810807
2-[[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 79811253
2-[[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]-2-methylbutanoic acid
CID 81946116
2,2,3-Trimethyl-3-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]butanoic acid
CID 103309213

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid (CID 79812038) is 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)C(C)(N)C(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is TWNOBFOZNQBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(2,7(18)19)9(3,4)16-6(17)10(5,15)11(12,13)14/h15H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 284.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 79812038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).