3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

C6H10F3NO2 — CID 60892343

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-10(3-2-5(11)12)4-6(7,8)9/h2-4H2,1H3,(H,11,12)
InChIKeyOULIPLUUOFWJQA-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.96
Rot. Bonds4

About 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 60892343) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID60892343
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-10(3-2-5(11)12)4-6(7,8)9/h2-4H2,1H3,(H,11,12)
InChIKeyOULIPLUUOFWJQA-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 60892343) is 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is CN(CCC(=O)O)CC(F)(F)F.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is OULIPLUUOFWJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-10(3-2-5(11)12)4-6(7,8)9/h2-4H2,1H3,(H,11,12).
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 60892343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).