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

C10H17F3N2O3 — CID 79803461

IUPAC2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)C(C)(N)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-4-9(5-2,7(17)18)15-6(16)8(3,14)10(11,12)13/h4-5,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYGMMXVYFKWBUNK-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.03
Rot. Bonds5

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

2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid (PubChem CID 79803461) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid
PubChem CID79803461
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)C(C)(N)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-4-9(5-2,7(17)18)15-6(16)8(3,14)10(11,12)13/h4-5,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYGMMXVYFKWBUNK-UHFFFAOYSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-trifluoroacetyl-isovaline
CID 129724088
2-Ethyl-2-((2,2,2-trifluoroacetyl)amino)butanoic acid
CID 79807087
3-Fluoro-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 20067302
2-Methyl-2-(trifluoroacetamido)pentanoic acid
CID 60999628
2-Methyl-2-(trifluoroacetamido)butanoic acid
CID 79793677
(2S)-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 93426867
(2S)-2,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 156735711
2,3-Dimethyl-2-(2,2,2-trifluoroacetamido)butanoic acid
CID 165915656
2-(2,2-Difluoropropanoylamino)-2,4-dimethylpentanoic acid
CID 167170255
2-(2,2-Difluoropropanoylamino)-2-methylpentanoic acid
CID 167170258
(3S)-2-(2,2-difluoropropanoylamino)-2,3-dimethylpentanoic acid
CID 167170264
2-(2,2-Difluoropropanoylamino)-2,3-dimethylbutanoic acid
CID 167170266

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid (CID 79803461) is 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)C(C)(N)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid?
The InChIKey is YGMMXVYFKWBUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-9(5-2,7(17)18)15-6(16)8(3,14)10(11,12)13/h4-5,14H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid?
2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79803461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).