(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid

C10H10F3NO3 — CID 10243770

IUPAC(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
SMILESN[C@@H](C(=O)O)[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)6-4-2-1-3-5(6)8(15)7(14)9(16)17/h1-4,7-8,15H,14H2,(H,16,17)/t7-,8+/m1/s1
InChIKeyHKYYADCKLZFJMS-SFYZADRCSA-N
MW249.19 g/mol
LogP1.15
Rot. Bonds3

About (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid

(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 10243770) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
PubChem CID10243770
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
SMILESN[C@@H](C(=O)O)[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)6-4-2-1-3-5(6)8(15)7(14)9(16)17/h1-4,7-8,15H,14H2,(H,16,17)/t7-,8+/m1/s1
InChIKeyHKYYADCKLZFJMS-SFYZADRCSA-N
XLogP1.15
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62717974
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
ethyl 2,3-dihydroxy-3-[2-(trifluoromethyl)phenyl]propanoate
CID 171866347
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid (CID 10243770) is (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid is N[C@@H](C(=O)O)[C@@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is HKYYADCKLZFJMS-SFYZADRCSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)6-4-2-1-3-5(6)8(15)7(14)9(16)17/h1-4,7-8,15H,14H2,(H,16,17)/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid?
(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 249.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 10243770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).