(4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid

C16H20N4O4 — CID 70374887

About (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid

(4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid (PubChem CID 70374887) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid
• PubChem CID: 70374887
• Molecular Formula: C16H20N4O4
• Molecular Weight: 332.36 g/mol
• Exact Mass: 332.15
• IUPAC Name: (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid
• SMILES: CC1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)CCC(=O)O)cc1
• InChI: InChI=1S/C16H20N4O4/c1-9-8-13(21)19-20-15(9)10-2-4-11(5-3-10)18-16(24)12(17)6-7-14(22)23/h2-5,9,12H,6-8,17H2,1H3,(H,18,24)(H,19,21)(H,22,23)/t9?,12-/m1/s1
• InChIKey: WIPWFJZYCCDGBS-FFFFSGIJSA-N
• XLogP: 0.68
• TPSA: 133.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.36
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid?

The IUPAC name of (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid (CID 70374887) is (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid.

What is the SMILES notation for (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid?

The canonical SMILES for (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid is CC1CC(=O)NN=C1c1ccc(NC(=O)[C@H](N)CCC(=O)O)cc1.

What is the InChIKey of (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid?

The InChIKey is WIPWFJZYCCDGBS-FFFFSGIJSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-8-13(21)19-20-15(9)10-2-4-11(5-3-10)18-16(24)12(17)6-7-14(22)23/h2-5,9,12H,6-8,17H2,1H3,(H,18,24)(H,19,21)(H,22,23)/t9?,12-/m1/s1.

What are the key properties of (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid?

(4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid has a molecular weight of 332.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 70374887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).