(2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid

C8H14F3NO2S — CID 10944688

IUPAC(2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid
SMILESCC(C)(C)S[C@@H](C(=O)O)[C@H](N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-7(2,3)15-4(6(13)14)5(12)8(9,10)11/h4-5H,12H2,1-3H3,(H,13,14)/t4-,5+/m1/s1
InChIKeyZJACBWMPSLQQLV-UHNVWZDZSA-N
MW245.27 g/mol
LogP1.86
Rot. Bonds3

About (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid

(2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid (PubChem CID 10944688) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid
PubChem CID10944688
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name(2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid
SMILESCC(C)(C)S[C@@H](C(=O)O)[C@H](N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-7(2,3)15-4(6(13)14)5(12)8(9,10)11/h4-5H,12H2,1-3H3,(H,13,14)/t4-,5+/m1/s1
InChIKeyZJACBWMPSLQQLV-UHNVWZDZSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid?
The IUPAC name of (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid (CID 10944688) is (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid?
The canonical SMILES for (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid is CC(C)(C)S[C@@H](C(=O)O)[C@H](N)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid?
The InChIKey is ZJACBWMPSLQQLV-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-7(2,3)15-4(6(13)14)5(12)8(9,10)11/h4-5H,12H2,1-3H3,(H,13,14)/t4-,5+/m1/s1.
What are the key properties of (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid?
(2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid has a molecular weight of 245.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-2-tert-butylsulfanyl-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 10944688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).