8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C21H27FN2O3 — CID 56881678

About 8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56881678) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56881678
• Molecular Formula: C21H27FN2O3
• Molecular Weight: 374.46 g/mol
• Exact Mass: 374.20
• IUPAC Name: 8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: Cc1cccc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)c1F
• InChI: InChI=1S/C21H27FN2O3/c1-14-3-2-4-16(18(14)22)12-24-13-21(11-17(24)20(26)27)7-9-23(10-8-21)19(25)15-5-6-15/h2-4,15,17H,5-13H2,1H3,(H,26,27)
• InChIKey: ILAGBVNDPANADY-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.46
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56881678) is 8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

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

The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cccc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)c1F.

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

The InChIKey is ILAGBVNDPANADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-14-3-2-4-16(18(14)22)12-24-13-21(11-17(24)20(26)27)7-9-23(10-8-21)19(25)15-5-6-15/h2-4,15,17H,5-13H2,1H3,(H,26,27).

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

8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 374.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56881678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).