2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid

C16H14F3NO2 — CID 170879844

IUPAC2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid
SMILESNC(Cc1cccc(-c2ccccc2C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-14(20)15(21)22/h1-8,14H,9,20H2,(H,21,22)
InChIKeyXHXPHZJGVPYRHF-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.33
Rot. Bonds4

About 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid

2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid (PubChem CID 170879844) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid
PubChem CID170879844
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid
SMILESNC(Cc1cccc(-c2ccccc2C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-14(20)15(21)22/h1-8,14H,9,20H2,(H,21,22)
InChIKeyXHXPHZJGVPYRHF-UHFFFAOYSA-N
XLogP3.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
CID 82540770
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
methyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170883863
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide
CID 126622264
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
2-amino-3-(3-fluorophenyl)propanoic acid;2,2,2-trifluoroacetic acid
CID 155543413
ethyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170885356

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid (CID 170879844) is 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid is NC(Cc1cccc(-c2ccccc2C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid?
The InChIKey is XHXPHZJGVPYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-14(20)15(21)22/h1-8,14H,9,20H2,(H,21,22).
What are the key properties of 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid?
2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid has a molecular weight of 309.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-[2-(trifluoromethyl)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 170879844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).