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

C7H10F3NO3 — CID 60764123

IUPAC4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-11(4-2-3-5(12)13)6(14)7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyJLLQJRSDPLMZMD-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds4

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

4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid (PubChem CID 60764123) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
PubChem CID60764123
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-11(4-2-3-5(12)13)6(14)7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyJLLQJRSDPLMZMD-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Diethylamino)-4-oxobutanoic acid
CID 15205
4-(2,2,2-Trifluoroacetamido)butanoic acid
CID 303592
2,2-Dimethyl-4-[methyl(trifluoroacetyl)amino]butanoic acid
CID 91716739
4-(3,3,3-Trifluoropropanoylamino)butanoic acid
CID 16773567
3-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 61000945
4-(2,2-Difluorobutanoylamino)butanoic acid
CID 89018957
4-(3,3-Difluoropyrrolidin-1-yl)-4-oxobutanoic acid
CID 116991710
1-Methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 161235254
4-(Dimethylamino)-2,2-difluorobutanoic acid
CID 165632326
4-(Dimethylamino)-2,2-difluorobutanoic acid;hydrochloride
CID 168160617
4-[Methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 43151856
4-Oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 54875334

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid (CID 60764123) is 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid?
The InChIKey is JLLQJRSDPLMZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-11(4-2-3-5(12)13)6(14)7(8,9)10/h2-4H2,1H3,(H,12,13).
What are the key properties of 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid?
4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid is sourced from PubChem (CID 60764123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).