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

C8H12F3NO4 — CID 62818703

IUPAC2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
SMILESCN(C(=O)OCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H12F3NO4/c1-7(2,5(13)14)12(3)6(15)16-4-8(9,10)11/h4H2,1-3H3,(H,13,14)
InChIKeyYGEJUMWGCVRJKF-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.48
Rot. Bonds3

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

2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid (PubChem CID 62818703) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
PubChem CID62818703
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Name2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
SMILESCN(C(=O)OCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H12F3NO4/c1-7(2,5(13)14)12(3)6(15)16-4-8(9,10)11/h4H2,1-3H3,(H,13,14)
InChIKeyYGEJUMWGCVRJKF-UHFFFAOYSA-N
XLogP1.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid (CID 62818703) is 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid is CN(C(=O)OCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid?
The InChIKey is YGEJUMWGCVRJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4/c1-7(2,5(13)14)12(3)6(15)16-4-8(9,10)11/h4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid?
2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid has a molecular weight of 243.18 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid is sourced from PubChem (CID 62818703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).