(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid

C16H14F3NO3 — CID 150225443

IUPAC(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccccc2OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C16H14F3NO3/c17-16(18,19)23-14-4-2-1-3-12(14)11-7-5-10(6-8-11)9-13(20)15(21)22/h1-8,13H,9,20H2,(H,21,22)/t13-/m0/s1
InChIKeyFUIZQBWDRDKPTN-ZDUSSCGKSA-N
MW325.29 g/mol
LogP3.21
Rot. Bonds5

About (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid

(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid (PubChem CID 150225443) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
PubChem CID150225443
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccccc2OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C16H14F3NO3/c17-16(18,19)23-14-4-2-1-3-12(14)11-7-5-10(6-8-11)9-13(20)15(21)22/h1-8,13H,9,20H2,(H,21,22)/t13-/m0/s1
InChIKeyFUIZQBWDRDKPTN-ZDUSSCGKSA-N
XLogP3.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118833201
2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
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(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
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(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-phenylpropanoic acid;ethanol
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CID 66995721
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 170879935
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid (CID 150225443) is (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid is N[C@@H](Cc1ccc(-c2ccccc2OC(F)(F)F)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The InChIKey is FUIZQBWDRDKPTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14F3NO3/c17-16(18,19)23-14-4-2-1-3-12(14)11-7-5-10(6-8-11)9-13(20)15(21)22/h1-8,13H,9,20H2,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid has a molecular weight of 325.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 150225443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).