2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid

C7H10F3NO3 — CID 62819559

IUPAC2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCN(C(=O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-6(2,5(13)14)11(3)4(12)7(8,9)10/h1-3H3,(H,13,14)
InChIKeyOFOILLAMWFHTJN-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds2

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

2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 62819559) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID62819559
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCN(C(=O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-6(2,5(13)14)11(3)4(12)7(8,9)10/h1-3H3,(H,13,14)
InChIKeyOFOILLAMWFHTJN-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

2-methyl-2-(N-methylacetamido)propanoic acid
CID 23279431
2-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61343842
2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
(2S)-2-(diacetylamino)-2,3,3-trifluoropropanoic acid
CID 87383292
2-(Diacetylamino)-2,3,3-trifluoropropanoic acid
CID 87383293
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 141046554
(2R)-2-(diacetylamino)-3,3,3-trifluoropropanoic acid
CID 145858385
(2S)-2-[tert-butyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 175750220
2-[Methyl(3,3,3-trifluoropropanoyl)amino]acetic acid
CID 16776833
2-[Acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 57373286

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 62819559) is 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is CN(C(=O)C(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is OFOILLAMWFHTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-6(2,5(13)14)11(3)4(12)7(8,9)10/h1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 62819559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).