3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid

C7H12F3NO3 — CID 62536251

IUPAC3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCOCC(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO3/c1-6(4-14-2,5(12)13)11-3-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyUUWAEKQGJUWISX-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.63
Rot. Bonds5

About 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid

3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid (PubChem CID 62536251) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
PubChem CID62536251
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCOCC(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO3/c1-6(4-14-2,5(12)13)11-3-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyUUWAEKQGJUWISX-UHFFFAOYSA-N
XLogP0.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid (CID 62536251) is 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid is COCC(C)(NCC(F)(F)F)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid?
The InChIKey is UUWAEKQGJUWISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-6(4-14-2,5(12)13)11-3-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid?
3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid has a molecular weight of 215.17 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid is sourced from PubChem (CID 62536251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).