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

C8H14F3NO4 — CID 79258588

IUPAC2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO4/c1-16-4-6(13)2-12(3-7(14)15)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyWQCJWRICLIYGLF-UHFFFAOYSA-N
MW245.20 g/mol
LogP-0.06
Rot. Bonds7

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

2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258588) has the molecular formula C8H14F3NO4 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258588
Molecular FormulaC8H14F3NO4
Molecular Weight245.20 g/mol
Exact Mass245.09
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO4/c1-16-4-6(13)2-12(3-7(14)15)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyWQCJWRICLIYGLF-UHFFFAOYSA-N
XLogP-0.06
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258588) is 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid is COCC(O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WQCJWRICLIYGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4/c1-16-4-6(13)2-12(3-7(14)15)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 245.20 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).