2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid

C7H12F3NO3 — CID 78967444

IUPAC2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)5-11(2-1-3-12)4-6(13)14/h12H,1-5H2,(H,13,14)
InChIKeyBQOGWNNNXLTHJQ-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.32
Rot. Bonds6

About 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78967444) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78967444
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CCCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)5-11(2-1-3-12)4-6(13)14/h12H,1-5H2,(H,13,14)
InChIKeyBQOGWNNNXLTHJQ-UHFFFAOYSA-N
XLogP0.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 78967444) is 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CCCO)CC(F)(F)F.
What is the InChIKey of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BQOGWNNNXLTHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c8-7(9,10)5-11(2-1-3-12)4-6(13)14/h12H,1-5H2,(H,13,14).
What are the key properties of 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78967444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).