2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H18F3NO3 — CID 116522753

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)CCC(CN(CC(=O)O)CC(F)(F)F)O1
InChIInChI=1S/C11H18F3NO3/c1-10(2)4-3-8(18-10)5-15(6-9(16)17)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyXEXRFHIFAPPLJX-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.89
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 116522753) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID116522753
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(C)CCC(CN(CC(=O)O)CC(F)(F)F)O1
InChIInChI=1S/C11H18F3NO3/c1-10(2)4-3-8(18-10)5-15(6-9(16)17)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyXEXRFHIFAPPLJX-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{Methyl[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]amino}acetic acid
CID 54594389
2-[Oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258603
2-[(2,2,5,5-Tetramethyloxolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79934493
2-[(5-Methyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 82839748
2-[methyl-[(1S)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid
CID 95240729
2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2S)-oxolan-2-yl]ethyl]amino]acetic acid
CID 95240730
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102899243
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102899244
2-[(5,5-Dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 104889633
2-[2,2-Difluoroethyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]ethanol
CID 107485457
2-[(5,5-Dimethyloxolan-2-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 113532475
2-[methyl-[(1R)-2,2,2-trifluoro-1-[(2R)-oxolan-2-yl]ethyl]amino]acetic acid
CID 124710060

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 116522753) is 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is CC1(C)CCC(CN(CC(=O)O)CC(F)(F)F)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XEXRFHIFAPPLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-10(2)4-3-8(18-10)5-15(6-9(16)17)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 116522753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).