2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid

C8H12F3NO3 — CID 62818963

IUPAC2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H12F3NO3/c1-4-12(5(13)8(9,10)11)7(2,3)6(14)15/h4H2,1-3H3,(H,14,15)
InChIKeyPNBVLOODBVSRNA-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.26
Rot. Bonds3

About 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid

2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid (PubChem CID 62818963) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid
PubChem CID62818963
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H12F3NO3/c1-4-12(5(13)8(9,10)11)7(2,3)6(14)15/h4H2,1-3H3,(H,14,15)
InChIKeyPNBVLOODBVSRNA-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.26
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
2-[Tert-butyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79269471
(2S)-2-[acetyl(ethyl)amino]-2,3,3-trifluoropropanoic acid
CID 87382971
2-[Tert-butyl(3,4,4-trifluorobut-3-enoyl)amino]acetic acid
CID 88326978
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 141046554
(2S)-3-methyl-2-(2,2,2-trifluoro-N-methylacetamido)butanoic acid
CID 141456004
(2R)-2-(diacetylamino)-3,3,3-trifluoropropanoic acid
CID 145858385
(2S)-2-[tert-butyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 175750220
n-Isobutyl-n-(2,2,2-trifluoroacetyl)glycine
CID 11401896

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid (CID 62818963) is 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid is CCN(C(=O)C(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid?
The InChIKey is PNBVLOODBVSRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-4-12(5(13)8(9,10)11)7(2,3)6(14)15/h4H2,1-3H3,(H,14,15).
What are the key properties of 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid?
2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid has a molecular weight of 227.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2,2,2-trifluoroacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).