2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid

C7H8F3NO4 — CID 57373286

IUPAC2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCC(=O)N(C(=O)C(F)(F)F)C(C)C(=O)O
InChIInChI=1S/C7H8F3NO4/c1-3(5(13)14)11(4(2)12)6(15)7(8,9)10/h3H,1-2H3,(H,13,14)
InChIKeyLRYLNLDVINJZNV-UHFFFAOYSA-N
MW227.14 g/mol
LogP0.40
Rot. Bonds2

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

2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 57373286) has the molecular formula C7H8F3NO4 and a molecular weight of 227.14 g/mol. Its IUPAC name is 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID57373286
Molecular FormulaC7H8F3NO4
Molecular Weight227.14 g/mol
Exact Mass227.04
IUPAC Name2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCC(=O)N(C(=O)C(F)(F)F)C(C)C(=O)O
InChIInChI=1S/C7H8F3NO4/c1-3(5(13)14)11(4(2)12)6(15)7(8,9)10/h3H,1-2H3,(H,13,14)
InChIKeyLRYLNLDVINJZNV-UHFFFAOYSA-N
XLogP0.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 57373286) is 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is CC(=O)N(C(=O)C(F)(F)F)C(C)C(=O)O.
What is the InChIKey of 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is LRYLNLDVINJZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO4/c1-3(5(13)14)11(4(2)12)6(15)7(8,9)10/h3H,1-2H3,(H,13,14).
What are the key properties of 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 227.14 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 57373286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).