(2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid

C5H8F3NO2 — CID 134862226

IUPAC(2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid
SMILESNC[C@H](F)[C@@H](F)[C@@H](F)C(=O)O
InChIInChI=1S/C5H8F3NO2/c6-2(1-9)3(7)4(8)5(10)11/h2-4H,1,9H2,(H,10,11)/t2-,3+,4+/m0/s1
InChIKeyYJPGXTAAPSDOJU-PZGQECOJSA-N
MW171.12 g/mol
LogP0.04
Rot. Bonds4

About (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid

(2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid (PubChem CID 134862226) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid.

Molecular Properties

Compound Name(2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid
PubChem CID134862226
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name(2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid
SMILESNC[C@H](F)[C@@H](F)[C@@H](F)C(=O)O
InChIInChI=1S/C5H8F3NO2/c6-2(1-9)3(7)4(8)5(10)11/h2-4H,1,9H2,(H,10,11)/t2-,3+,4+/m0/s1
InChIKeyYJPGXTAAPSDOJU-PZGQECOJSA-N
XLogP0.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid?
The IUPAC name of (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid (CID 134862226) is (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid.
What is the SMILES notation for (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid?
The canonical SMILES for (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid is NC[C@H](F)[C@@H](F)[C@@H](F)C(=O)O.
What is the InChIKey of (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid?
The InChIKey is YJPGXTAAPSDOJU-PZGQECOJSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-2(1-9)3(7)4(8)5(10)11/h2-4H,1,9H2,(H,10,11)/t2-,3+,4+/m0/s1.
What are the key properties of (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid?
(2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid has a molecular weight of 171.12 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-5-amino-2,3,4-trifluoropentanoic acid is sourced from PubChem (CID 134862226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).