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

C7H12F3NO3 — CID 65263651

IUPAC2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
SMILESCC(C)(NCC(O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO3/c1-6(2,5(13)14)11-3-4(12)7(8,9)10/h4,11-12H,3H2,1-2H3,(H,13,14)
InChIKeySQAIOOKINXSELZ-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.36
Rot. Bonds4

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

2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid (PubChem CID 65263651) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
PubChem CID65263651
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid
SMILESCC(C)(NCC(O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO3/c1-6(2,5(13)14)11-3-4(12)7(8,9)10/h4,11-12H,3H2,1-2H3,(H,13,14)
InChIKeySQAIOOKINXSELZ-UHFFFAOYSA-N
XLogP0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid (CID 65263651) is 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid is CC(C)(NCC(O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
The InChIKey is SQAIOOKINXSELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-6(2,5(13)14)11-3-4(12)7(8,9)10/h4,11-12H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid?
2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid has a molecular weight of 215.17 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propanoic acid is sourced from PubChem (CID 65263651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).