2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid

C7H11F3N2O3 — CID 16786220

IUPAC2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H11F3N2O3/c1-6(2,4(13)14)12-5(15)11-3-7(8,9)10/h3H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyKVQNGSQCTRTNJV-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.71
Rot. Bonds3

About 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid

2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid (PubChem CID 16786220) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
PubChem CID16786220
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H11F3N2O3/c1-6(2,4(13)14)12-5(15)11-3-7(8,9)10/h3H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyKVQNGSQCTRTNJV-UHFFFAOYSA-N
XLogP0.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid (CID 16786220) is 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid is CC(C)(NC(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid?
The InChIKey is KVQNGSQCTRTNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-6(2,4(13)14)12-5(15)11-3-7(8,9)10/h3H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid?
2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid has a molecular weight of 228.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 16786220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).