2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid

C8H15F3N2O2 — CID 63053027

IUPAC2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCCN(CCC(N)C(=O)O)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-13(5-8(9,10)11)4-3-6(12)7(14)15/h6H,2-5,12H2,1H3,(H,14,15)
InChIKeyWPBARSONAQIJHV-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.67
Rot. Bonds6

About 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid

2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid (PubChem CID 63053027) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
PubChem CID63053027
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCCN(CCC(N)C(=O)O)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-13(5-8(9,10)11)4-3-6(12)7(14)15/h6H,2-5,12H2,1H3,(H,14,15)
InChIKeyWPBARSONAQIJHV-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(dimethylcarbamoyl)propanoic acid, trifluoroacetic acid
CID 165908901
(S)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175923
(2S)-2-amino-4-(4-aminobutylamino)butyric acid
CID 70678731
(2S)-2-amino-4-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 87289671
2-Amino-4-(4,4,4-trifluorobutanoylamino)butanoic acid
CID 87289673
(2S)-2-amino-4-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 87289691
2-Amino-4-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 87289692
2-Amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 116991252
2-Amino-4-[sulfamoyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 123398581
4-[[3-(Dimethylamino)-2,2,3,3-tetrafluoropropyl]amino]butanoic acid
CID 130273026
4-[[3-(Dimethylamino)-2,2,3,4,4,4-hexafluorobutyl]amino]butanoic acid
CID 130273027
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 142490828

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid (CID 63053027) is 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid is CCN(CCC(N)C(=O)O)CC(F)(F)F.
What is the InChIKey of 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The InChIKey is WPBARSONAQIJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-2-13(5-8(9,10)11)4-3-6(12)7(14)15/h6H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid has a molecular weight of 228.21 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid is sourced from PubChem (CID 63053027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).