(3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H24N4O3 — CID 95896511

About (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95896511) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95896511
• Molecular Formula: C18H24N4O3
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.18
• IUPAC Name: (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: Cc1ccc(N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)nn1
• InChI: InChI=1S/C18H24N4O3/c1-12-2-5-15(20-19-12)21-8-6-18(7-9-21)10-14(17(24)25)22(11-18)16(23)13-3-4-13/h2,5,13-14H,3-4,6-11H2,1H3,(H,24,25)/t14-/m0/s1
• InChIKey: LFOGVSZWHYSEEG-AWEZNQCLSA-N
• XLogP: 1.47
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95896511) is (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1ccc(N2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)nn1.

What is the InChIKey of (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is LFOGVSZWHYSEEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-2-5-15(20-19-12)21-8-6-18(7-9-21)10-14(17(24)25)22(11-18)16(23)13-3-4-13/h2,5,13-14H,3-4,6-11H2,1H3,(H,24,25)/t14-/m0/s1.

What are the key properties of (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

(3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95896511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).