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

C11H12F3NO3 — CID 135054167

IUPAC(2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESN[C@](CO)(Cc1ccc(C(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-7(2-4-8)5-10(15,6-16)9(17)18/h1-4,16H,5-6,15H2,(H,17,18)/t10-/m0/s1
InChIKeyCWGILZPLTPZLMU-JTQLQIEISA-N
MW263.21 g/mol
LogP1.02
Rot. Bonds4

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

(2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 135054167) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
PubChem CID135054167
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name(2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESN[C@](CO)(Cc1ccc(C(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-7(2-4-8)5-10(15,6-16)9(17)18/h1-4,16H,5-6,15H2,(H,17,18)/t10-/m0/s1
InChIKeyCWGILZPLTPZLMU-JTQLQIEISA-N
XLogP1.02
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid (CID 135054167) is (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid is N[C@](CO)(Cc1ccc(C(F)(F)F)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is CWGILZPLTPZLMU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)8-3-1-7(2-4-8)5-10(15,6-16)9(17)18/h1-4,16H,5-6,15H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid?
(2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 263.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 135054167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).