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

C22H22N2O5 — CID 118113294

IUPAC2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESCC1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)C(C(=O)NCC(=O)O)=C1O
InChIInChI=1S/C22H22N2O5/c1-14-12-24(22(29)19(20(14)27)21(28)23-11-18(25)26)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,27H,11-13H2,1H3,(H,23,28)(H,25,26)
InChIKeyVAOZDISNUYLWIK-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.34
Rot. Bonds6

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

2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 118113294) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID118113294
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESCC1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)C(C(=O)NCC(=O)O)=C1O
InChIInChI=1S/C22H22N2O5/c1-14-12-24(22(29)19(20(14)27)21(28)23-11-18(25)26)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,27H,11-13H2,1H3,(H,23,28)(H,25,26)
InChIKeyVAOZDISNUYLWIK-UHFFFAOYSA-N
XLogP2.34
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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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]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonyl]amino]acetic acid
CID 118978308
N-[(1R)-1-[3-[4-(acetamidomethyl)phenyl]phenyl]ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330467
4-hydroxy-1-methyl-5-oxo-N-[(2-phenylphenyl)methyl]-2H-pyrrole-3-carboxamide
CID 90330471
N-[[3-[4-(acetamidomethyl)phenyl]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330626
2-[(1-Benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
CID 54749083
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
2-[[4-Hydroxy-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176782
2-[[4-Hydroxy-2-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176787
2-[[4-Hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176791

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 118113294) is 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is CC1CN(Cc2ccc(-c3ccccc3)cc2)C(=O)C(C(=O)NCC(=O)O)=C1O.
What is the InChIKey of 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is VAOZDISNUYLWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-12-24(22(29)19(20(14)27)21(28)23-11-18(25)26)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,27H,11-13H2,1H3,(H,23,28)(H,25,26).
What are the key properties of 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 394.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 118113294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).