2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid

C17H15N3O6 — CID 67086272

IUPAC2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c(-c3ccc(O)cc3)ccn21
InChIInChI=1S/C17H15N3O6/c1-19-17(26)13(16(25)18-8-12(22)23)15(24)14-11(6-7-20(14)19)9-2-4-10(21)5-3-9/h2-7,21,24H,8H2,1H3,(H,18,25)(H,22,23)
InChIKeyNCSZYFMEFHCUIU-UHFFFAOYSA-N
MW357.32 g/mol
LogP0.53
Rot. Bonds4

About 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid

2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid (PubChem CID 67086272) has the molecular formula C17H15N3O6 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
PubChem CID67086272
Molecular FormulaC17H15N3O6
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c(-c3ccc(O)cc3)ccn21
InChIInChI=1S/C17H15N3O6/c1-19-17(26)13(16(25)18-8-12(22)23)15(24)14-11(6-7-20(14)19)9-2-4-10(21)5-3-9/h2-7,21,24H,8H2,1H3,(H,18,25)(H,22,23)
InChIKeyNCSZYFMEFHCUIU-UHFFFAOYSA-N
XLogP0.53
TPSA133.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
CID 59340126
2-[(6-benzyl-4-hydroxy-1,5,7-trimethyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl)amino]acetic acid
CID 54738393
2-[[4-hydroxy-1-methyl-7-(2-methylphenyl)-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 59340054
2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid
CID 67086636
2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid
CID 67086606
2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid
CID 67086299
2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602
2-[(4,6-dihydroxy-8-methoxy-1-methyl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
CID 54738437
2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
CID 67086352
2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751148
2-[[1-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685150

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid (CID 67086272) is 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2c(-c3ccc(O)cc3)ccn21.
What is the InChIKey of 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid?
The InChIKey is NCSZYFMEFHCUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6/c1-19-17(26)13(16(25)18-8-12(22)23)15(24)14-11(6-7-20(14)19)9-2-4-10(21)5-3-9/h2-7,21,24H,8H2,1H3,(H,18,25)(H,22,23).
What are the key properties of 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid?
2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid has a molecular weight of 357.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 67086272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).