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

C20H30N4O3 — CID 56906178

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

8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56906178) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56906178
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: 8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CC(C)n1ccnc1CN1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O
• InChI: InChI=1S/C20H30N4O3/c1-14(2)24-10-7-21-17(24)12-23-13-20(11-16(23)19(26)27)5-8-22(9-6-20)18(25)15-3-4-15/h7,10,14-16H,3-6,8-9,11-13H2,1-2H3,(H,26,27)
• InChIKey: GBDMQWUXOMDLRI-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56906178) is 8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

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

The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(C)n1ccnc1CN1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O.

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

The InChIKey is GBDMQWUXOMDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14(2)24-10-7-21-17(24)12-23-13-20(11-16(23)19(26)27)5-8-22(9-6-20)18(25)15-3-4-15/h7,10,14-16H,3-6,8-9,11-13H2,1-2H3,(H,26,27).

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

8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 374.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56906178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).