8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H26N4O3 — CID 56892074

About 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56892074) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56892074
• Molecular Formula: C18H26N4O3
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.20
• IUPAC Name: 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: Cn1ccnc1CN1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O
• InChI: InChI=1S/C18H26N4O3/c1-20-9-6-19-15(20)11-22-12-18(10-14(22)17(24)25)4-7-21(8-5-18)16(23)13-2-3-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,24,25)
• InChIKey: QOLRZCGRCRDUIB-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56892074) is 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cn1ccnc1CN1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O.

What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is QOLRZCGRCRDUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-20-9-6-19-15(20)11-22-12-18(10-14(22)17(24)25)4-7-21(8-5-18)16(23)13-2-3-13/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,24,25).

What are the key properties of 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56892074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).