(2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid

C5H8F3NO2 — CID 15381137

IUPAC(2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](N)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2(4(10)11)3(9)5(6,7)8/h2-3H,9H2,1H3,(H,10,11)/t2-,3-/m1/s1
InChIKeyJTYHOTBWGZYNPW-PWNYCUMCSA-N
MW171.12 g/mol
LogP0.60
Rot. Bonds2

About (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid

(2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid (PubChem CID 15381137) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid
PubChem CID15381137
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name(2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](N)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2(4(10)11)3(9)5(6,7)8/h2-3H,9H2,1H3,(H,10,11)/t2-,3-/m1/s1
InChIKeyJTYHOTBWGZYNPW-PWNYCUMCSA-N
XLogP0.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid?
The IUPAC name of (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid (CID 15381137) is (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid.
What is the SMILES notation for (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid?
The canonical SMILES for (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid is C[C@@H](C(=O)O)[C@@H](N)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid?
The InChIKey is JTYHOTBWGZYNPW-PWNYCUMCSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-2(4(10)11)3(9)5(6,7)8/h2-3H,9H2,1H3,(H,10,11)/t2-,3-/m1/s1.
What are the key properties of (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid?
(2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid has a molecular weight of 171.12 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-4,4,4-trifluoro-2-methylbutanoic acid is sourced from PubChem (CID 15381137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).