2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid

C11H19F3N2O3 — CID 79260930

IUPAC2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
SMILESCC(C)(NC(=O)CNCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-9(2,8(18)19)10(3,4)16-7(17)5-15-6-11(12,13)14/h15H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyZDGLXMFDAYRYSS-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.14
Rot. Bonds6

About 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid

2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid (PubChem CID 79260930) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
PubChem CID79260930
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
SMILESCC(C)(NC(=O)CNCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-9(2,8(18)19)10(3,4)16-7(17)5-15-6-11(12,13)14/h15H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyZDGLXMFDAYRYSS-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-amino-N-tert-butyl-3,3-dimethylbutanamide;2,2,2-trifluoroacetic acid
CID 22941558
(2R)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid
CID 86641028
[2,3,3-Trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 87869838
3-[Tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 54926000
3-[Ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]butanoic acid
CID 55123188
1-[1-(Tert-butylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709103
1-[2-(2-Methylbutan-2-ylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709828
1-[2-(Ethylamino)-2-methylpropanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709975
1-[2-Methyl-2-(methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710154
1-[2-(Tert-butylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710544
2,2,3-Trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 65261708
2,2,3-Trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid
CID 65264419

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid (CID 79260930) is 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid is CC(C)(NC(=O)CNCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid?
The InChIKey is ZDGLXMFDAYRYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-9(2,8(18)19)10(3,4)16-7(17)5-15-6-11(12,13)14/h15H,5-6H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 79260930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).