(2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid

C6H10F3NO2 — CID 86594487

IUPAC(2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid
SMILESC[C@H](CC(F)(F)F)[C@H](N)C(=O)O
InChIInChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4+/m1/s1
InChIKeyIISHLMOFSAYIEX-DMTCNVIQSA-N
MW185.14 g/mol
LogP0.99
Rot. Bonds3

About (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid

(2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid (PubChem CID 86594487) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid
PubChem CID86594487
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid
SMILESC[C@H](CC(F)(F)F)[C@H](N)C(=O)O
InChIInChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4+/m1/s1
InChIKeyIISHLMOFSAYIEX-DMTCNVIQSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid?
The IUPAC name of (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid (CID 86594487) is (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid?
The canonical SMILES for (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid is C[C@H](CC(F)(F)F)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid?
The InChIKey is IISHLMOFSAYIEX-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4+/m1/s1.
What are the key properties of (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid?
(2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid is sourced from PubChem (CID 86594487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).