2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H20F3NO5 — CID 106991488

IUPAC2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCC(C)OCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H20F3NO5/c1-8(5-19-2)20-6-9(16)3-15(4-10(17)18)7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyPZXZPJWFRLNBNW-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.35
Rot. Bonds10

About 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 106991488) has the molecular formula C11H20F3NO5 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID106991488
Molecular FormulaC11H20F3NO5
Molecular Weight303.28 g/mol
Exact Mass303.13
IUPAC Name2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCC(C)OCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H20F3NO5/c1-8(5-19-2)20-6-9(16)3-15(4-10(17)18)7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyPZXZPJWFRLNBNW-UHFFFAOYSA-N
XLogP0.35
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 106991488) is 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid is COCC(C)OCC(O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PZXZPJWFRLNBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO5/c1-8(5-19-2)20-6-9(16)3-15(4-10(17)18)7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 303.28 g/mol, XLogP of 0.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 106991488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).