2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid

C7H12F3NO2 — CID 63227924

IUPAC2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid
SMILESCC(C)(NCCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO2/c1-6(2,5(12)13)11-4-3-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyLOFDOTUMVCBHIG-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.39
Rot. Bonds4

About 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid

2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid (PubChem CID 63227924) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid
PubChem CID63227924
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid
SMILESCC(C)(NCCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO2/c1-6(2,5(12)13)11-4-3-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyLOFDOTUMVCBHIG-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid (CID 63227924) is 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid is CC(C)(NCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid?
The InChIKey is LOFDOTUMVCBHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,5(12)13)11-4-3-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid?
2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,3,3-trifluoropropylamino)propanoic acid is sourced from PubChem (CID 63227924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).