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

C8H14F3NO3 — CID 63900687

IUPAC2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
SMILESCN(CC(O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H14F3NO3/c1-7(2,6(14)15)12(3)4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,14,15)
InChIKeyKBGAJHIRRDQWOK-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.70
Rot. Bonds4

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

2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid (PubChem CID 63900687) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
PubChem CID63900687
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
SMILESCN(CC(O)C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H14F3NO3/c1-7(2,6(14)15)12(3)4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,14,15)
InChIKeyKBGAJHIRRDQWOK-UHFFFAOYSA-N
XLogP0.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid (CID 63900687) is 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid is CN(CC(O)C(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The InChIKey is KBGAJHIRRDQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-7(2,6(14)15)12(3)4-5(13)8(9,10)11/h5,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid has a molecular weight of 229.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 63900687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).