2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid

C16H16N4O6 — CID 108785094

IUPAC2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
SMILESCc1cccc(-n2nc(C(=O)NCC(=O)NCC(=O)O)c(O)cc2=O)c1
InChIInChI=1S/C16H16N4O6/c1-9-3-2-4-10(5-9)20-13(23)6-11(21)15(19-20)16(26)18-7-12(22)17-8-14(24)25/h2-6,21H,7-8H2,1H3,(H,17,22)(H,18,26)(H,24,25)
InChIKeyKUDOHSJQDAVWSN-UHFFFAOYSA-N
MW360.33 g/mol
LogP-0.82
Rot. Bonds6

About 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid

2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid (PubChem CID 108785094) has the molecular formula C16H16N4O6 and a molecular weight of 360.33 g/mol. Its IUPAC name is 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
PubChem CID108785094
Molecular FormulaC16H16N4O6
Molecular Weight360.33 g/mol
Exact Mass360.11
IUPAC Name2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
SMILESCc1cccc(-n2nc(C(=O)NCC(=O)NCC(=O)O)c(O)cc2=O)c1
InChIInChI=1S/C16H16N4O6/c1-9-3-2-4-10(5-9)20-13(23)6-11(21)15(19-20)16(26)18-7-12(22)17-8-14(24)25/h2-6,21H,7-8H2,1H3,(H,17,22)(H,18,26)(H,24,25)
InChIKeyKUDOHSJQDAVWSN-UHFFFAOYSA-N
XLogP-0.82
TPSA150.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]pentanedioic acid
CID 108785089
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993
4-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785145
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
4-hydroxy-N-(2-indol-1-ylethyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108809187
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798395
4-hydroxy-1-(3-methylphenyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-6-oxopyridazine-3-carboxamide
CID 108809208
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785157

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid (CID 108785094) is 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid is Cc1cccc(-n2nc(C(=O)NCC(=O)NCC(=O)O)c(O)cc2=O)c1.
What is the InChIKey of 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid?
The InChIKey is KUDOHSJQDAVWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O6/c1-9-3-2-4-10(5-9)20-13(23)6-11(21)15(19-20)16(26)18-7-12(22)17-8-14(24)25/h2-6,21H,7-8H2,1H3,(H,17,22)(H,18,26)(H,24,25).
What are the key properties of 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid?
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid has a molecular weight of 360.33 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 108785094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).