2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

C16H15F3N2O5 — CID 118176825

IUPAC2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H15F3N2O5/c17-16(18,19)10-3-1-2-9(6-10)8-21-5-4-11(22)13(15(21)26)14(25)20-7-12(23)24/h1-3,6,22H,4-5,7-8H2,(H,20,25)(H,23,24)
InChIKeyYOMCSUAGLOVMCS-UHFFFAOYSA-N
MW372.30 g/mol
LogP1.45
Rot. Bonds5

About 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 118176825) has the molecular formula C16H15F3N2O5 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID118176825
Molecular FormulaC16H15F3N2O5
Molecular Weight372.30 g/mol
Exact Mass372.09
IUPAC Name2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H15F3N2O5/c17-16(18,19)10-3-1-2-9(6-10)8-21-5-4-11(22)13(15(21)26)14(25)20-7-12(23)24/h1-3,6,22H,4-5,7-8H2,(H,20,25)(H,23,24)
InChIKeyYOMCSUAGLOVMCS-UHFFFAOYSA-N
XLogP1.45
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176900
4-[[5-(carboxymethylcarbamoyl)-4-hydroxy-6-oxo-2,3-dihydropyridin-1-yl]methyl]benzoic acid
CID 118177074
2-[[1-[[4-cyclobutyl-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177004
2-[[4-hydroxy-6-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176816
2-[[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176904
2-[[1-[(4-ethylphenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176826
2-[[4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176811
2-[[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176917
2-[[1-[[4-(carboxymethoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177078
2-[[4-hydroxy-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177123
2-[[1-[(4-cyclopentyloxyphenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177025
2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053166

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 118176825) is 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(Cc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is YOMCSUAGLOVMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5/c17-16(18,19)10-3-1-2-9(6-10)8-21-5-4-11(22)13(15(21)26)14(25)20-7-12(23)24/h1-3,6,22H,4-5,7-8H2,(H,20,25)(H,23,24).
What are the key properties of 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 372.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 118176825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).