4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid

C17H25N7O3 — CID 119253367

About 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid

4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid (PubChem CID 119253367) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

• Compound Name: 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid
• PubChem CID: 119253367
• Molecular Formula: C17H25N7O3
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.20
• IUPAC Name: 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid
• SMILES: CC(C)CC(CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)O
• InChI: InChI=1S/C17H25N7O3/c1-11(2)9-13(17(26)27)10-18-16(25)12-5-7-23(8-6-12)15-4-3-14-19-21-22-24(14)20-15/h3-4,11-13H,5-10H2,1-2H3,(H,18,25)(H,26,27)
• InChIKey: GZXNYYHHIVXCBE-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 125.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid?

The IUPAC name of 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid (CID 119253367) is 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid.

What is the SMILES notation for 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid?

The canonical SMILES for 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)O.

What is the InChIKey of 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid?

The InChIKey is GZXNYYHHIVXCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3/c1-11(2)9-13(17(26)27)10-18-16(25)12-5-7-23(8-6-12)15-4-3-14-19-21-22-24(14)20-15/h3-4,11-13H,5-10H2,1-2H3,(H,18,25)(H,26,27).

What are the key properties of 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid?

4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 375.43 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 119253367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).