2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid

C8H13F3N2O3 — CID 79261616

IUPAC2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-7(2,6(15)16)13-5(14)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNHUOPTIDFVIYIJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.12
Rot. Bonds5

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

2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid (PubChem CID 79261616) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid
PubChem CID79261616
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-7(2,6(15)16)13-5(14)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNHUOPTIDFVIYIJ-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid (CID 79261616) is 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid is CC(C)(NC(=O)CNCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid?
The InChIKey is NHUOPTIDFVIYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-7(2,6(15)16)13-5(14)3-12-4-8(9,10)11/h12H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid has a molecular weight of 242.20 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 79261616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).