2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid

C16H20F3NO4 — CID 119192267

IUPAC2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C16H20F3NO4/c1-3-10-15(2,14(22)23)20-13(21)9-6-11-4-7-12(8-5-11)24-16(17,18)19/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFRGSKJYQIAHTNP-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.28
Rot. Bonds8

About 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid

2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid (PubChem CID 119192267) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid
PubChem CID119192267
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C16H20F3NO4/c1-3-10-15(2,14(22)23)20-13(21)9-6-11-4-7-12(8-5-11)24-16(17,18)19/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFRGSKJYQIAHTNP-UHFFFAOYSA-N
XLogP3.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,5-dimethylphenyl)propanoylamino]-2-methylpentanoic acid
CID 120517074
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylpentanoic acid
CID 43619035
2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 43618706
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119599569
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid
CID 84588870
2-methyl-2-[3-(4-propoxyphenyl)propanoylamino]propanoic acid
CID 119187557
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
N-[(1S,2S)-2-propylcyclopropyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 124889748
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
2-[3-(4-aminophenyl)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 115341579

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid (CID 119192267) is 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid is CCCC(C)(NC(=O)CCc1ccc(OC(F)(F)F)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid?
The InChIKey is FRGSKJYQIAHTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-3-10-15(2,14(22)23)20-13(21)9-6-11-4-7-12(8-5-11)24-16(17,18)19/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid?
2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid has a molecular weight of 347.33 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid is sourced from PubChem (CID 119192267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).