2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid

C13H19N3O4 — CID 43630891

IUPAC2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(=O)n(CCC)n1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-3-5-10(13(19)20)14-12(18)9-6-7-11(17)16(15-9)8-4-2/h6-7,10H,3-5,8H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyZROXHYFRZLQECQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.64
Rot. Bonds7

About 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid

2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43630891) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43630891
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(=O)n(CCC)n1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-3-5-10(13(19)20)14-12(18)9-6-7-11(17)16(15-9)8-4-2/h6-7,10H,3-5,8H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyZROXHYFRZLQECQ-UHFFFAOYSA-N
XLogP0.64
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
CID 120534639

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid (CID 43630891) is 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1ccc(=O)n(CCC)n1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is ZROXHYFRZLQECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-5-10(13(19)20)14-12(18)9-6-7-11(17)16(15-9)8-4-2/h6-7,10H,3-5,8H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).