2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid

C7H12F3NO2 — CID 79629822

IUPAC2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCC(C)(CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO2/c1-6(2,5(12)13)3-11-4-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyFGEQVEPZRXCRNV-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.25
Rot. Bonds4

About 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid

2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid (PubChem CID 79629822) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
PubChem CID79629822
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCC(C)(CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO2/c1-6(2,5(12)13)3-11-4-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyFGEQVEPZRXCRNV-UHFFFAOYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 114806866
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
CID 79623675
2,2-dimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 115427379
3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 114941755
2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61264894
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 79623755
3-[(3-ethyl-2-hydroxypentyl)amino]-2,2-dimethylpropanoic acid
CID 106285731
3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
CID 79623531
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2,2-dimethylpropanoic acid
CID 107852533
2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid (CID 79629822) is 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid is CC(C)(CNCC(F)(F)F)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid?
The InChIKey is FGEQVEPZRXCRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,5(12)13)3-11-4-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid?
2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid is sourced from PubChem (CID 79629822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).