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

C11H15N3O4 — CID 43355382

IUPAC2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)NC(C)C(=O)O)ccc1=O
InChIInChI=1S/C11H15N3O4/c1-3-6-14-9(15)5-4-8(13-14)10(16)12-7(2)11(17)18/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyBRQCUYMHTJXXAB-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.14
Rot. Bonds5

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

2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 43355382) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
PubChem CID43355382
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)NC(C)C(=O)O)ccc1=O
InChIInChI=1S/C11H15N3O4/c1-3-6-14-9(15)5-4-8(13-14)10(16)12-7(2)11(17)18/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyBRQCUYMHTJXXAB-UHFFFAOYSA-N
XLogP-0.14
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
(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
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (CID 43355382) is 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is CCCn1nc(C(=O)NC(C)C(=O)O)ccc1=O.
What is the InChIKey of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is BRQCUYMHTJXXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-6-14-9(15)5-4-8(13-14)10(16)12-7(2)11(17)18/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.14, 5 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]propanoic acid is sourced from PubChem (CID 43355382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).