2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid

C12H17N3O5 — CID 107831909

IUPAC2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
SMILESCCCn1nc(C(=O)NCCC(O)C(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-2-7-15-10(17)4-3-8(14-15)11(18)13-6-5-9(16)12(19)20/h3-4,9,16H,2,5-7H2,1H3,(H,13,18)(H,19,20)
InChIKeyJTXWDOYXQJPNPL-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.78
Rot. Bonds7

About 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid

2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 107831909) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
PubChem CID107831909
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
SMILESCCCn1nc(C(=O)NCCC(O)C(=O)O)ccc1=O
InChIInChI=1S/C12H17N3O5/c1-2-7-15-10(17)4-3-8(14-15)11(18)13-6-5-9(16)12(19)20/h3-4,9,16H,2,5-7H2,1H3,(H,13,18)(H,19,20)
InChIKeyJTXWDOYXQJPNPL-UHFFFAOYSA-N
XLogP-0.78
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid (CID 107831909) is 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid is CCCn1nc(C(=O)NCCC(O)C(=O)O)ccc1=O.
What is the InChIKey of 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is JTXWDOYXQJPNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-2-7-15-10(17)4-3-8(14-15)11(18)13-6-5-9(16)12(19)20/h3-4,9,16H,2,5-7H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107831909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).