2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid

C10H8F3NO3 — CID 16777818

IUPAC2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)7-4-2-1-3-6(7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)
InChIKeyICMKIQQGWGHTGR-UHFFFAOYSA-N
MW247.17 g/mol
LogP1.52
Rot. Bonds3

About 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid

2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid (PubChem CID 16777818) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid
PubChem CID16777818
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)7-4-2-1-3-6(7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)
InChIKeyICMKIQQGWGHTGR-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid (CID 16777818) is 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid?
The InChIKey is ICMKIQQGWGHTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)7-4-2-1-3-6(7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16).
What are the key properties of 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid?
2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid has a molecular weight of 247.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 16777818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).