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

C16H15F3N2O5 — CID 118176791

IUPAC2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H15F3N2O5/c17-16(18,19)10-3-1-9(2-4-10)8-21-6-5-11(22)13(15(21)26)14(25)20-7-12(23)24/h1-4,22H,5-8H2,(H,20,25)(H,23,24)
InChIKeyLPNCPAOQDCAVMW-UHFFFAOYSA-N
MW372.30 g/mol
LogP1.45
Rot. Bonds5

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

2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 118176791) has the molecular formula C16H15F3N2O5 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID118176791
Molecular FormulaC16H15F3N2O5
Molecular Weight372.30 g/mol
Exact Mass372.09
IUPAC Name2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H15F3N2O5/c17-16(18,19)10-3-1-9(2-4-10)8-21-6-5-11(22)13(15(21)26)14(25)20-7-12(23)24/h1-4,22H,5-8H2,(H,20,25)(H,23,24)
InChIKeyLPNCPAOQDCAVMW-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-Benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238046
N-[(4-hydroxy-2-oxo-1-(phenylmethyl)-5-{[(phenylmethyl)amino]carbonyl}-1,2-dihydro-3-pyridinyl)carbonyl]glycine
CID 58238067
2-[[4-Hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54746913
2-[[6-(Cyclopropanecarbonyl)-4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54747815
2-[[4-Hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrothieno[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54747831
2-[[4-Hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonyl]amino]acetic acid
CID 118978308
2-[[4-Hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroquinoline-3-carbonyl]amino]acetic acid
CID 118978321
2-[[4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonyl]amino]acetic acid
CID 118978339
2-[(1-Benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
CID 54749083
2-[[4-Hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118113294
2-[[4-Hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]-1-azaspiro[5.5]undec-3-ene-3-carbonyl]amino]acetic acid
CID 118176775
2-[[8-Hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid
CID 118176780

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 118176791) is 2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is LPNCPAOQDCAVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5/c17-16(18,19)10-3-1-9(2-4-10)8-21-6-5-11(22)13(15(21)26)14(25)20-7-12(23)24/h1-4,22H,5-8H2,(H,20,25)(H,23,24).
What are the key properties of 2-[[4-hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-6-oxo-1-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 118176791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).