(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid

C9H8F3NO3 — CID 131872454

IUPAC(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
SMILESN[C@@](C(=O)O)(c1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)8(13,7(15)16)5-2-1-3-6(14)4-5/h1-4,14H,13H2,(H,15,16)/t8-/m1/s1
InChIKeyVIYYBAGAIYKJJJ-MRVPVSSYSA-N
MW235.16 g/mol
LogP1.19
Rot. Bonds2

About (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid

(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid (PubChem CID 131872454) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
PubChem CID131872454
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
SMILESN[C@@](C(=O)O)(c1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)8(13,7(15)16)5-2-1-3-6(14)4-5/h1-4,14H,13H2,(H,15,16)/t8-/m1/s1
InChIKeyVIYYBAGAIYKJJJ-MRVPVSSYSA-N
XLogP1.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191
(2S)-2-amino-2-chloro-2-(3-hydroxyphenyl)acetic acid
CID 101081990
benzene-1,3-diol;2,2,2-trifluoroacetic acid
CID 70611467
2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809
2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride
CID 105459733
(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid
CID 131872483
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid
CID 162738000
3,3-bis(3-hydroxyphenyl)pentanediamide
CID 142654567
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid (CID 131872454) is (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid is N[C@@](C(=O)O)(c1cccc(O)c1)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid?
The InChIKey is VIYYBAGAIYKJJJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)8(13,7(15)16)5-2-1-3-6(14)4-5/h1-4,14H,13H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid?
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid has a molecular weight of 235.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 131872454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).