(2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid

C10H9F3N2O5 — CID 61152077

IUPAC(2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H9F3N2O5/c11-10(12,13)6-2-1-4(8(18)15-6)7(17)14-5(3-16)9(19)20/h1-2,5,16H,3H2,(H,14,17)(H,15,18)(H,19,20)/t5-/m0/s1
InChIKeyMNJFWVONNSVEJO-YFKPBYRVSA-N
MW294.19 g/mol
LogP-0.43
Rot. Bonds4

About (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 61152077) has the molecular formula C10H9F3N2O5 and a molecular weight of 294.19 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
PubChem CID61152077
Molecular FormulaC10H9F3N2O5
Molecular Weight294.19 g/mol
Exact Mass294.05
IUPAC Name(2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H9F3N2O5/c11-10(12,13)6-2-1-4(8(18)15-6)7(17)14-5(3-16)9(19)20/h1-2,5,16H,3H2,(H,14,17)(H,15,18)(H,19,20)/t5-/m0/s1
InChIKeyMNJFWVONNSVEJO-YFKPBYRVSA-N
XLogP-0.43
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (CID 61152077) is (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is O=C(N[C@@H](CO)C(=O)O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is MNJFWVONNSVEJO-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H9F3N2O5/c11-10(12,13)6-2-1-4(8(18)15-6)7(17)14-5(3-16)9(19)20/h1-2,5,16H,3H2,(H,14,17)(H,15,18)(H,19,20)/t5-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 294.19 g/mol, XLogP of -0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61152077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).