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

C10H9F3N2O4 — CID 54990762

IUPAC(2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H9F3N2O4/c1-4(9(18)19)14-7(16)5-2-3-6(10(11,12)13)15-8(5)17/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19)/t4-/m1/s1
InChIKeyXVIMIRXEZGFDMO-SCSAIBSYSA-N
MW278.19 g/mol
LogP0.60
Rot. Bonds3

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

(2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 54990762) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
PubChem CID54990762
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name(2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H9F3N2O4/c1-4(9(18)19)14-7(16)5-2-3-6(10(11,12)13)15-8(5)17/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19)/t4-/m1/s1
InChIKeyXVIMIRXEZGFDMO-SCSAIBSYSA-N
XLogP0.60
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

6-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-1H-pyridine-3-carboxamide
CID 164643183
Methyl N-({6-[chloro(difluoro)methyl]2 oxo-1,2-dihydropyridin-3-yl}carbonyl)glycinate
CID 59828244
2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
CID 141218762
methyl 3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
CID 40212103
3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43170270
3-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43170378
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43171619
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
CID 43354402
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43354741
4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43355002
2-[methyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
CID 43356215

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (CID 54990762) is (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is C[C@@H](NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O.
What is the InChIKey of (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is XVIMIRXEZGFDMO-SCSAIBSYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c1-4(9(18)19)14-7(16)5-2-3-6(10(11,12)13)15-8(5)17/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19)/t4-/m1/s1.
What are the key properties of (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
(2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 278.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 54990762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).