2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid

C15H20F3NO2 — CID 62272876

IUPAC2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20F3NO2/c1-3-9-19(11-15(16,17)18)10-14(2,13(20)21)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,20,21)
InChIKeyHTUGPJXETXLCFA-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.30
Rot. Bonds7

About 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid

2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 62272876) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID62272876
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20F3NO2/c1-3-9-19(11-15(16,17)18)10-14(2,13(20)21)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,20,21)
InChIKeyHTUGPJXETXLCFA-UHFFFAOYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 116695800
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 55055318
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid
CID 43437606
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
2-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanenitrile
CID 116692474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 62272876) is 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is CCCN(CC(F)(F)F)CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is HTUGPJXETXLCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-3-9-19(11-15(16,17)18)10-14(2,13(20)21)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 303.32 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 62272876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).