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

C10H18F3NO4 — CID 79258203

IUPAC2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)OCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO4/c1-7(2)18-5-8(15)3-14(4-9(16)17)6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyGODUSBOHSPAHEA-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.72
Rot. Bonds8

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

2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258203) has the molecular formula C10H18F3NO4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258203
Molecular FormulaC10H18F3NO4
Molecular Weight273.25 g/mol
Exact Mass273.12
IUPAC Name2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)OCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO4/c1-7(2)18-5-8(15)3-14(4-9(16)17)6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyGODUSBOHSPAHEA-UHFFFAOYSA-N
XLogP0.72
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.72
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-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258203) is 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)OCC(O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GODUSBOHSPAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4/c1-7(2)18-5-8(15)3-14(4-9(16)17)6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 273.25 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).