(2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid

C6H8F3NO4 — CID 93306129

IUPAC(2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H8F3NO4/c1-2(11)3(4(12)13)10-5(14)6(7,8)9/h2-3,11H,1H3,(H,10,14)(H,12,13)/t2-,3+/m1/s1
InChIKeyJIQIETFBYDXHGW-GBXIJSLDSA-N
MW215.13 g/mol
LogP-0.50
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid (PubChem CID 93306129) has the molecular formula C6H8F3NO4 and a molecular weight of 215.13 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
PubChem CID93306129
Molecular FormulaC6H8F3NO4
Molecular Weight215.13 g/mol
Exact Mass215.04
IUPAC Name(2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C6H8F3NO4/c1-2(11)3(4(12)13)10-5(14)6(7,8)9/h2-3,11H,1H3,(H,10,14)(H,12,13)/t2-,3+/m1/s1
InChIKeyJIQIETFBYDXHGW-GBXIJSLDSA-N
XLogP-0.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid (CID 93306129) is (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The InChIKey is JIQIETFBYDXHGW-GBXIJSLDSA-N. The full InChI is InChI=1S/C6H8F3NO4/c1-2(11)3(4(12)13)10-5(14)6(7,8)9/h2-3,11H,1H3,(H,10,14)(H,12,13)/t2-,3+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid has a molecular weight of 215.13 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid is sourced from PubChem (CID 93306129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).