2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid

C10H10F3NO2 — CID 2777597

IUPAC2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid
SMILESNC(Cc1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChIKeyIOABLDGLYOGEHY-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.66
Rot. Bonds3

About 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid

2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 2777597) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid
PubChem CID2777597
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid
SMILESNC(Cc1ccccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChIKeyIOABLDGLYOGEHY-UHFFFAOYSA-N
XLogP1.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid (CID 2777597) is 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid is NC(Cc1ccccc1C(F)(F)F)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is IOABLDGLYOGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16).
What are the key properties of 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid?
2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 233.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 2777597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).