2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid

C19H19N3O5 — CID 67086615

IUPAC2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid
SMILESCc1cn2c(c(O)c(C(=O)NC(C)C(=O)O)c(=O)n2C)c1-c1ccccc1
InChIInChI=1S/C19H19N3O5/c1-10-9-22-15(13(10)12-7-5-4-6-8-12)16(23)14(18(25)21(22)3)17(24)20-11(2)19(26)27/h4-9,11,23H,1-3H3,(H,20,24)(H,26,27)
InChIKeyXZQYPKLCAMWEKD-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.52
Rot. Bonds4

About 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid

2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 67086615) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid
PubChem CID67086615
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid
SMILESCc1cn2c(c(O)c(C(=O)NC(C)C(=O)O)c(=O)n2C)c1-c1ccccc1
InChIInChI=1S/C19H19N3O5/c1-10-9-22-15(13(10)12-7-5-4-6-8-12)16(23)14(18(25)21(22)3)17(24)20-11(2)19(26)27/h4-9,11,23H,1-3H3,(H,20,24)(H,26,27)
InChIKeyXZQYPKLCAMWEKD-UHFFFAOYSA-N
XLogP1.52
TPSA113.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{[1-(2-Trifluoromethyl-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54749292
{[1-(4-Fluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54751136
{[1-(2-Fluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54751138
{[1-(2,4-Difluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54751139
{[1-(4-Trifluoromethyl-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54751143
{[1-(3-Trifluoromethyl-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54751146
{[1-(3-Fluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54751147
{[1-(2,6-Difluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54751148
2-(S)-{[6-Chloro-4-hydroxy-2-oxo-1-(4-trifluoromethyl-benzyl)-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-propionic acid
CID 54751154
2-(S)-{[4-Hydroxy-2-oxo-1-(4-trifluoromethyl-benzyl)-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-propionic acid
CID 54751155
2-(s)-{[4-Hydroxy-2-oxo-1-(4-trifluoromethyl-benzyl)-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-butyric acid
CID 54751156
{[6-Chloro-4-hydroxy-2-oxo-1-(4-fluoro-benzyl)-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid
CID 54751157

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid (CID 67086615) is 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid is Cc1cn2c(c(O)c(C(=O)NC(C)C(=O)O)c(=O)n2C)c1-c1ccccc1.
What is the InChIKey of 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is XZQYPKLCAMWEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-10-9-22-15(13(10)12-7-5-4-6-8-12)16(23)14(18(25)21(22)3)17(24)20-11(2)19(26)27/h4-9,11,23H,1-3H3,(H,20,24)(H,26,27).
What are the key properties of 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid?
2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 369.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1,6-dimethyl-2-oxo-5-phenylpyrrolo[1,2-b]pyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 67086615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).