2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid

C10H18F3NO4 — CID 54969258

IUPAC2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
SMILESCOCCN(CCCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C10H18F3NO4/c1-17-6-4-14(7-9(15)16)3-2-5-18-8-10(11,12)13/h2-8H2,1H3,(H,15,16)
InChIKeyOFRUYKTXQNHODQ-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.99
Rot. Bonds10

About 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid

2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid (PubChem CID 54969258) has the molecular formula C10H18F3NO4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
PubChem CID54969258
Molecular FormulaC10H18F3NO4
Molecular Weight273.25 g/mol
Exact Mass273.12
IUPAC Name2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
SMILESCOCCN(CCCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C10H18F3NO4/c1-17-6-4-14(7-9(15)16)3-2-5-18-8-10(11,12)13/h2-8H2,1H3,(H,15,16)
InChIKeyOFRUYKTXQNHODQ-UHFFFAOYSA-N
XLogP0.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-[2-fluoropropyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 44521774
2a{[2a(Acetyloxy)a3-(perfluoroalkyl)propyl]dimethylazaniumyl}acetate
CID 165368046
(Butylazanediyl)bis(ethane-2,1-diyl) bis(2,2,2-trifluoroacetate)
CID 91717616
2-(Dibutylamino)ethyl 2,2,2-trifluoroacetate
CID 59204033
2-(Dipropylamino)ethyl 2,2,2-trifluoroacetate
CID 59204089
Propyl 2-(propylamino)acetate;2,2,2-trifluoroacetic acid
CID 85703225
2-[2-Methylpropyl-[2-oxo-2-(2,2,2-trifluoroacetyl)oxyethyl]amino]acetic acid
CID 87845500
Carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2-trifluoroethoxy)propyl]azanium
CID 90078635
2,2-Difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
CID 118029370
2,3-Bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl-(carboxymethyl)-dimethylazanium
CID 118335274
Carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium
CID 118344740
2-[Methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid
CID 129013060

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid (CID 54969258) is 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid is COCCN(CCCOCC(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
The InChIKey is OFRUYKTXQNHODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4/c1-17-6-4-14(7-9(15)16)3-2-5-18-8-10(11,12)13/h2-8H2,1H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid?
2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid has a molecular weight of 273.25 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid is sourced from PubChem (CID 54969258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).