2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid

C9H13N3O4 — CID 43469457

IUPAC2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-2-5(9(15)16)10-8(14)6-3-4-7(13)12-11-6/h5H,2-4H2,1H3,(H,10,14)(H,12,13)(H,15,16)
InChIKeyYYKNGLMDWIJYNK-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.77
Rot. Bonds4

About 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid

2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (PubChem CID 43469457) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
PubChem CID43469457
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1=NNC(=O)CC1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-2-5(9(15)16)10-8(14)6-3-4-7(13)12-11-6/h5H,2-4H2,1H3,(H,10,14)(H,12,13)(H,15,16)
InChIKeyYYKNGLMDWIJYNK-UHFFFAOYSA-N
XLogP-0.77
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261290
2-[(1-Methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 43170214
3-Hydroxy-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]butanoic acid
CID 43170302
3-[(1-Methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoic acid
CID 43170671
2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 43171173
3-Methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
CID 43171219
3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 43171680
5-Amino-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43171957
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 43172713
6-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]hexanoic acid
CID 43352949
4-Methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]pentanoic acid
CID 43353307
4-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]pentanoic acid
CID 43353333

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid (CID 43469457) is 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is CCC(NC(=O)C1=NNC(=O)CC1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
The InChIKey is YYKNGLMDWIJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-2-5(9(15)16)10-8(14)6-3-4-7(13)12-11-6/h5H,2-4H2,1H3,(H,10,14)(H,12,13)(H,15,16).
What are the key properties of 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid?
2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43469457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).