2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

C10H16F3NO4 — CID 167170356

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCC(C)(C)OCC(C)(NC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-8(2,3)18-5-9(4,7(16)17)14-6(15)10(11,12)13/h5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyYXVHQDVDCWILMU-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.32
Rot. Bonds4

About 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 167170356) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID167170356
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCC(C)(C)OCC(C)(NC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO4/c1-8(2,3)18-5-9(4,7(16)17)14-6(15)10(11,12)13/h5H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyYXVHQDVDCWILMU-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 167170356) is 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid is CC(C)(C)OCC(C)(NC(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is YXVHQDVDCWILMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-8(2,3)18-5-9(4,7(16)17)14-6(15)10(11,12)13/h5H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 271.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 167170356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).