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

C5H6F3NO4 — CID 22855356

IUPAC(2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)[C@@H](O)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO4/c6-5(7,8)4(13)9-1-2(10)3(11)12/h2,10H,1H2,(H,9,13)(H,11,12)/t2-/m0/s1
InChIKeyJYFQKLRWYXWIQB-REOHCLBHSA-N
MW201.10 g/mol
LogP-0.89
Rot. Bonds3

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

(2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 22855356) has the molecular formula C5H6F3NO4 and a molecular weight of 201.10 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID22855356
Molecular FormulaC5H6F3NO4
Molecular Weight201.10 g/mol
Exact Mass201.02
IUPAC Name(2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)[C@@H](O)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO4/c6-5(7,8)4(13)9-1-2(10)3(11)12/h2,10H,1H2,(H,9,13)(H,11,12)/t2-/m0/s1
InChIKeyJYFQKLRWYXWIQB-REOHCLBHSA-N
XLogP-0.89
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 22855356) is (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid is O=C(O)[C@@H](O)CNC(=O)C(F)(F)F.
What is the InChIKey of (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is JYFQKLRWYXWIQB-REOHCLBHSA-N. The full InChI is InChI=1S/C5H6F3NO4/c6-5(7,8)4(13)9-1-2(10)3(11)12/h2,10H,1H2,(H,9,13)(H,11,12)/t2-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 201.10 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 22855356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).