2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid

C15H15N3O5 — CID 54749146

IUPAC2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
SMILESCc1nn(Cc2ccccc2)c(=O)c(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C15H15N3O5/c1-9-13(21)12(14(22)16-7-11(19)20)15(23)18(17-9)8-10-5-3-2-4-6-10/h2-6,21H,7-8H2,1H3,(H,16,22)(H,19,20)
InChIKeyRTRPUIOGIULCPA-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.12
Rot. Bonds5

About 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid

2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid (PubChem CID 54749146) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
PubChem CID54749146
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
SMILESCc1nn(Cc2ccccc2)c(=O)c(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C15H15N3O5/c1-9-13(21)12(14(22)16-7-11(19)20)15(23)18(17-9)8-10-5-3-2-4-6-10/h2-6,21H,7-8H2,1H3,(H,16,22)(H,19,20)
InChIKeyRTRPUIOGIULCPA-UHFFFAOYSA-N
XLogP0.12
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(4-chlorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
CID 54739155
2-[[5-hydroxy-3-oxo-6-propan-2-yl-2-[(4-pyridin-4-ylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
CID 54739224
2-[[2-[(4-tert-butylphenyl)methyl]-6-(4-chlorophenyl)-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739156
2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739149
2-[(5-benzyl-8-hydroxy-6-oxoimidazo[1,2-b]pyridazine-7-carbonyl)amino]acetic acid
CID 67086352
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996
2-[[2-[(2-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739138
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
2-[(1-benzyl-4-hydroxy-2-oxopyridazino[1,6-a]benzimidazole-3-carbonyl)amino]acetic acid
CID 54738396
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid (CID 54749146) is 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid is Cc1nn(Cc2ccccc2)c(=O)c(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
The InChIKey is RTRPUIOGIULCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-9-13(21)12(14(22)16-7-11(19)20)15(23)18(17-9)8-10-5-3-2-4-6-10/h2-6,21H,7-8H2,1H3,(H,16,22)(H,19,20).
What are the key properties of 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid?
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid has a molecular weight of 317.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 54749146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).