3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid

C7H12F3NO3 — CID 79792013

IUPAC3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid
SMILESCOCCNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-6(5(12)13,7(8,9)10)11-3-4-14-2/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyUBUCIBVNQBYPNN-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.63
Rot. Bonds5

About 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid

3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid (PubChem CID 79792013) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid
PubChem CID79792013
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid
SMILESCOCCNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-6(5(12)13,7(8,9)10)11-3-4-14-2/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyUBUCIBVNQBYPNN-UHFFFAOYSA-N
XLogP0.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2-(4-methoxybutylamino)-2-methylpropanoic acid
CID 104648495
3,3,3-trifluoro-2-(2-fluoroethylamino)-2-methylpropanoic acid
CID 80695608
2-(butylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791166
3,3,3-trifluoro-2-methyl-2-(4,4,4-trifluorobutylamino)propanoic acid
CID 115514712
2-(2-ethylsulfonylethylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788947
3,3,3-trifluoro-2-(3-methoxypropylsulfonylamino)-2-methylpropanoic acid
CID 79793191
3,3,3-trifluoro-2-methyl-2-(3-methylbut-2-enylamino)propanoic acid
CID 79789429
3,3,3-trifluoro-2-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 114495055
2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
CID 103410896
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2,2,3-trimethylbutanoic acid
CID 104564893
2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid (CID 79792013) is 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid is COCCNC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid?
The InChIKey is UBUCIBVNQBYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-6(5(12)13,7(8,9)10)11-3-4-14-2/h11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid?
3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid has a molecular weight of 215.17 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 79792013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).