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

C21H20N2O6 — CID 73052700

IUPAC2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C21H20N2O6/c24-17-10-11-23(21(28)19(17)20(27)22-12-18(25)26)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-9,24H,10-13H2,(H,22,27)(H,25,26)
InChIKeyOCOFQGLEWCHDSN-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.22
Rot. Bonds7

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

2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 73052700) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID73052700
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C21H20N2O6/c24-17-10-11-23(21(28)19(17)20(27)22-12-18(25)26)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-9,24H,10-13H2,(H,22,27)(H,25,26)
InChIKeyOCOFQGLEWCHDSN-UHFFFAOYSA-N
XLogP2.22
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[[4-(2-Fluorophenoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053164
2-[[4-Hydroxy-1-[[4-(3-methoxyphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053305
2-[[4-Hydroxy-2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54746964
2-[[4-Hydroxy-1-[[4-(4-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73052704
N-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 709955
2-[(4-Phenoxyphenyl)formamido]acetic acid
CID 2404831
N-(4-methoxybenzyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 4299306
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71515496
4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 71548654
2-[[1-[[4-(3,4-Dimethylphenoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73051913
2-[[4-Hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053015
2-[[1-[[4-(3-Fluorophenoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053016

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 73052700) is 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is OCOFQGLEWCHDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c24-17-10-11-23(21(28)19(17)20(27)22-12-18(25)26)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-9,24H,10-13H2,(H,22,27)(H,25,26).
What are the key properties of 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 396.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 73052700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).