2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid

C11H12F3NO3 — CID 67089313

IUPAC2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCOC(c1ccc(C(F)(F)F)cc1)C(N)C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-18-9(8(15)10(16)17)6-2-4-7(5-3-6)11(12,13)14/h2-5,8-9H,15H2,1H3,(H,16,17)
InChIKeyUGIQTODFLFQTFS-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid

2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 67089313) has the molecular formula C11H12F3NO3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid
PubChem CID67089313
Molecular FormulaC11H12F3NO3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC Name2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCOC(c1ccc(C(F)(F)F)cc1)C(N)C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-18-9(8(15)10(16)17)6-2-4-7(5-3-6)11(12,13)14/h2-5,8-9H,15H2,1H3,(H,16,17)
InChIKeyUGIQTODFLFQTFS-UHFFFAOYSA-N
XLogP1.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid (CID 67089313) is 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid is COC(c1ccc(C(F)(F)F)cc1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is UGIQTODFLFQTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-18-9(8(15)10(16)17)6-2-4-7(5-3-6)11(12,13)14/h2-5,8-9H,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid?
2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 263.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-3-[4-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 67089313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).