8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H26N4O4 — CID 56913813

About 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56913813) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56913813
• Molecular Formula: C18H26N4O4
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.20
• IUPAC Name: 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CCc1noc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)n1
• InChI: InChI=1S/C18H26N4O4/c1-2-14-19-15(26-20-14)10-22-11-18(9-13(22)17(24)25)5-7-21(8-6-18)16(23)12-3-4-12/h12-13H,2-11H2,1H3,(H,24,25)
• InChIKey: NGKAIXOPGGWUTO-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 99.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56913813) is 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCc1noc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)n1.

What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is NGKAIXOPGGWUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-2-14-19-15(26-20-14)10-22-11-18(9-13(22)17(24)25)5-7-21(8-6-18)16(23)12-3-4-12/h12-13H,2-11H2,1H3,(H,24,25).

What are the key properties of 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56913813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).