2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid

C13H16F3NO3 — CID 151193828

IUPAC2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid
SMILESCC(CC(C)(N)C(=O)O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-8(7-12(2,17)11(18)19)9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,7,17H2,1-2H3,(H,18,19)
InChIKeyNGWMANGPIUYOJJ-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.88
Rot. Bonds5

About 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid

2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid (PubChem CID 151193828) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid
PubChem CID151193828
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid
SMILESCC(CC(C)(N)C(=O)O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-8(7-12(2,17)11(18)19)9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,7,17H2,1-2H3,(H,18,19)
InChIKeyNGWMANGPIUYOJJ-UHFFFAOYSA-N
XLogP2.88
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
CID 152742384
methyl 3-methyl-2-[2-(trifluoromethoxy)phenyl]butanoate
CID 55071882
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2-methyl-3-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 81008606
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
methyl 2-amino-4-[2-(trifluoromethoxy)phenyl]hexanoate
CID 174512723
2-amino-2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]hexanoic acid
CID 151295570
methyl 2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]-3-methylbutanoate
CID 62393861
4-hydroxy-2,3-dimethyl-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 79413515
2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
CID 150363705
ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate
CID 83043039

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid (CID 151193828) is 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid is CC(CC(C)(N)C(=O)O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid?
The InChIKey is NGWMANGPIUYOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-8(7-12(2,17)11(18)19)9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid?
2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid has a molecular weight of 291.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 151193828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).