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

C10H13N3O5 — CID 63913396

IUPAC2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
SMILESCCCn1nc(C(=O)NOCC(=O)O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-2-5-13-8(14)4-3-7(11-13)10(17)12-18-6-9(15)16/h3-4H,2,5-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyACPAOEDRSQWOSE-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.60
Rot. Bonds6

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

2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid (PubChem CID 63913396) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
PubChem CID63913396
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
SMILESCCCn1nc(C(=O)NOCC(=O)O)ccc1=O
InChIInChI=1S/C10H13N3O5/c1-2-5-13-8(14)4-3-7(11-13)10(17)12-18-6-9(15)16/h3-4H,2,5-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyACPAOEDRSQWOSE-UHFFFAOYSA-N
XLogP-0.60
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
(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
1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide
CID 115409703
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
(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
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid (CID 63913396) is 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid is CCCn1nc(C(=O)NOCC(=O)O)ccc1=O.
What is the InChIKey of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid?
The InChIKey is ACPAOEDRSQWOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-5-13-8(14)4-3-7(11-13)10(17)12-18-6-9(15)16/h3-4H,2,5-6H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid?
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid has a molecular weight of 255.23 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 63913396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).