(2S)-2-amino-5,5,5-trifluoropentanoic acid

C5H8F3NO2 — CID 7177179

IUPAC(2S)-2-amino-5,5,5-trifluoropentanoic acid
SMILESN[C@@H](CCC(F)(F)F)C(=O)O
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
InChIKeyKTZZIDWVKLDWBF-VKHMYHEASA-N
MW171.12 g/mol
LogP0.74
Rot. Bonds3

About (2S)-2-amino-5,5,5-trifluoropentanoic acid

(2S)-2-amino-5,5,5-trifluoropentanoic acid (PubChem CID 7177179) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is (2S)-2-amino-5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5,5,5-trifluoropentanoic acid
PubChem CID7177179
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name(2S)-2-amino-5,5,5-trifluoropentanoic acid
SMILESN[C@@H](CCC(F)(F)F)C(=O)O
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1
InChIKeyKTZZIDWVKLDWBF-VKHMYHEASA-N
XLogP0.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5,5-trifluoropentanoic acid?
The IUPAC name of (2S)-2-amino-5,5,5-trifluoropentanoic acid (CID 7177179) is (2S)-2-amino-5,5,5-trifluoropentanoic acid.
What is the SMILES notation for (2S)-2-amino-5,5,5-trifluoropentanoic acid?
The canonical SMILES for (2S)-2-amino-5,5,5-trifluoropentanoic acid is N[C@@H](CCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-5,5,5-trifluoropentanoic acid?
The InChIKey is KTZZIDWVKLDWBF-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-5,5,5-trifluoropentanoic acid?
(2S)-2-amino-5,5,5-trifluoropentanoic acid has a molecular weight of 171.12 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5,5-trifluoropentanoic acid is sourced from PubChem (CID 7177179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).