2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C12H13F3N2O4 — CID 79264833

IUPAC2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CCn1ccccc1=O
InChIInChI=1S/C12H13F3N2O4/c13-12(14,15)8-17(7-11(20)21)10(19)4-6-16-5-2-1-3-9(16)18/h1-3,5H,4,6-8H2,(H,20,21)
InChIKeyOMTDFODFHDUVHB-UHFFFAOYSA-N
MW306.24 g/mol
LogP0.71
Rot. Bonds6

About 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264833) has the molecular formula C12H13F3N2O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264833
Molecular FormulaC12H13F3N2O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC Name2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CCn1ccccc1=O
InChIInChI=1S/C12H13F3N2O4/c13-12(14,15)8-17(7-11(20)21)10(19)4-6-16-5-2-1-3-9(16)18/h1-3,5H,4,6-8H2,(H,20,21)
InChIKeyOMTDFODFHDUVHB-UHFFFAOYSA-N
XLogP0.71
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid
CID 17535105
3-Amino-1-carboxymethyl-pyridin-2-one tfa
CID 66791420
4,4,4-Trifluoro-2-(2-oxopyridin-1-yl)butanoic acid
CID 139580013
2-[5-Fluoro-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458850
2-[3-(Difluoromethyl)-2-oxopyridin-1-yl]acetic acid
CID 142458900
2-[(2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260939
2-[(1-Methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261115
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-prop-2-enylamino]acetic acid
CID 79262341
3,3,3-Trifluoro-2-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
CID 79791861
2-Fluoro-2-(3-methyl-2-oxo-1-pyridinyl)acetic acid
CID 81298415
2-[2-(2-Oxo-1-pyridinyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 82908012
(2R)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 102267043

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264833) is 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)CCn1ccccc1=O.
What is the InChIKey of 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OMTDFODFHDUVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4/c13-12(14,15)8-17(7-11(20)21)10(19)4-6-16-5-2-1-3-9(16)18/h1-3,5H,4,6-8H2,(H,20,21).
What are the key properties of 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 306.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).