8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C21H28N2O5 — CID 56895775

About 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56895775) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56895775
• Molecular Formula: C21H28N2O5
• Molecular Weight: 388.46 g/mol
• Exact Mass: 388.20
• IUPAC Name: 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: COc1cc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)ccc1O
• InChI: InChI=1S/C21H28N2O5/c1-28-18-10-14(2-5-17(18)24)12-23-13-21(11-16(23)20(26)27)6-8-22(9-7-21)19(25)15-3-4-15/h2,5,10,15-16,24H,3-4,6-9,11-13H2,1H3,(H,26,27)
• InChIKey: KCVWTTCYOZHCFX-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 90.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.46
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56895775) is 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1cc(CN2CC3(CCN(C(=O)C4CC4)CC3)CC2C(=O)O)ccc1O.

What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is KCVWTTCYOZHCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-28-18-10-14(2-5-17(18)24)12-23-13-21(11-16(23)20(26)27)6-8-22(9-7-21)19(25)15-3-4-15/h2,5,10,15-16,24H,3-4,6-9,11-13H2,1H3,(H,26,27).

What are the key properties of 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 388.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56895775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).