2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid

C13H19N3O5 — CID 43353663

IUPAC2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCCCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-3-4-7-16-10(18)6-5-9(15-16)12(19)14-11(8(2)17)13(20)21/h5-6,8,11,17H,3-4,7H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyOGPJKFXZXQRXRN-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.39
Rot. Bonds7

About 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid

2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 43353663) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID43353663
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCCCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O
InChIInChI=1S/C13H19N3O5/c1-3-4-7-16-10(18)6-5-9(15-16)12(19)14-11(8(2)17)13(20)21/h5-6,8,11,17H,3-4,7H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyOGPJKFXZXQRXRN-UHFFFAOYSA-N
XLogP-0.39
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid (CID 43353663) is 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid is CCCCn1nc(C(=O)NC(C(=O)O)C(C)O)ccc1=O.
What is the InChIKey of 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is OGPJKFXZXQRXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-3-4-7-16-10(18)6-5-9(15-16)12(19)14-11(8(2)17)13(20)21/h5-6,8,11,17H,3-4,7H2,1-2H3,(H,14,19)(H,20,21).
What are the key properties of 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid?
2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43353663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).