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

C7H13F3N2O2 — CID 63055645

IUPAC2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)CC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-12(4-7(8,9)10)3-2-5(11)6(13)14/h5H,2-4,11H2,1H3,(H,13,14)
InChIKeyRMAHYPYXZSDQMY-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.28
Rot. Bonds5

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

2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid (PubChem CID 63055645) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
PubChem CID63055645
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)CC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-12(4-7(8,9)10)3-2-5(11)6(13)14/h5H,2-4,11H2,1H3,(H,13,14)
InChIKeyRMAHYPYXZSDQMY-UHFFFAOYSA-N
XLogP0.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-(methylamino)butanoic acid
CID 21295102
(2S)-2-amino-4-(dimethylamino)butanoic acid dihydrochloride
CID 165798433
(S)-2-Amino-4-(dimethylamino)butanoic acid
CID 28175923
2-[(3-Aminopropyl)amino]-4,4,4-trifluorobutanoic acid
CID 57690459
(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid (CID 63055645) is 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid is CN(CCC(N)C(=O)O)CC(F)(F)F.
What is the InChIKey of 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The InChIKey is RMAHYPYXZSDQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-12(4-7(8,9)10)3-2-5(11)6(13)14/h5H,2-4,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid?
2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid has a molecular weight of 214.19 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid is sourced from PubChem (CID 63055645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).