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

C22H22N2O6 — CID 73053015

IUPAC2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESCc1cccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cc2)c1
InChIInChI=1S/C22H22N2O6/c1-14-3-2-4-17(11-14)30-16-7-5-15(6-8-16)13-24-10-9-18(25)20(22(24)29)21(28)23-12-19(26)27/h2-8,11,25H,9-10,12-13H2,1H3,(H,23,28)(H,26,27)
InChIKeyGTNMWFBGQYXSPP-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.53
Rot. Bonds7

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

2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 73053015) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID73053015
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESCc1cccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cc2)c1
InChIInChI=1S/C22H22N2O6/c1-14-3-2-4-17(11-14)30-16-7-5-15(6-8-16)13-24-10-9-18(25)20(22(24)29)21(28)23-12-19(26)27/h2-8,11,25H,9-10,12-13H2,1H3,(H,23,28)(H,26,27)
InChIKeyGTNMWFBGQYXSPP-UHFFFAOYSA-N
XLogP2.53
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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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-1-[[4-(4-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73052704
6-Methoxy-2-oxo-2H-chromene-3-carboxylic acid 4-methoxy-benzylamide
CID 709850
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-6-oxo-1-[(4-phenoxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73052700
2-[[1-[[4-(3-Fluorophenoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053016
2-[[1-[[4-(4-Chlorophenoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053019
2-[[4-Hydroxy-1-[[4-(2-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053165
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330515

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 73053015) is 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is Cc1cccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cc2)c1.
What is the InChIKey of 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is GTNMWFBGQYXSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-14-3-2-4-17(11-14)30-16-7-5-15(6-8-16)13-24-10-9-18(25)20(22(24)29)21(28)23-12-19(26)27/h2-8,11,25H,9-10,12-13H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 410.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-1-[[4-(3-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 73053015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).