4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid

C14H21N3O4 — CID 43353335

IUPAC4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCn1nc(C(=O)NC(CC(C)C)C(=O)O)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-4-7-17-12(18)6-5-10(16-17)13(19)15-11(14(20)21)8-9(2)3/h5-6,9,11H,4,7-8H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyJVBGWSYPBVZMRS-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.88
Rot. Bonds7

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

4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43353335) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
PubChem CID43353335
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
SMILESCCCn1nc(C(=O)NC(CC(C)C)C(=O)O)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-4-7-17-12(18)6-5-10(16-17)13(19)15-11(14(20)21)8-9(2)3/h5-6,9,11H,4,7-8H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyJVBGWSYPBVZMRS-UHFFFAOYSA-N
XLogP0.88
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid (CID 43353335) is 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid is CCCn1nc(C(=O)NC(CC(C)C)C(=O)O)ccc1=O.
What is the InChIKey of 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is JVBGWSYPBVZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-7-17-12(18)6-5-10(16-17)13(19)15-11(14(20)21)8-9(2)3/h5-6,9,11H,4,7-8H2,1-3H3,(H,15,19)(H,20,21).
What are the key properties of 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43353335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).