(4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H25N3O5 — CID 97197077

About (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97197077) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 97197077
• Molecular Formula: C18H25N3O5
• Molecular Weight: 363.41 g/mol
• Exact Mass: 363.18
• IUPAC Name: (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CN(C)C(=O)c1ccc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)o1
• InChI: InChI=1S/C18H25N3O5/c1-19(2)16(23)14-5-4-12(26-14)11-21-8-6-18(7-9-21)13(17(24)25)10-15(22)20(18)3/h4-5,13H,6-11H2,1-3H3,(H,24,25)/t13-/m0/s1
• InChIKey: WMHSTRZURMWBQL-ZDUSSCGKSA-N
• XLogP: 0.88
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.41
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97197077) is (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN(C)C(=O)c1ccc(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)o1.

What is the InChIKey of (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is WMHSTRZURMWBQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-19(2)16(23)14-5-4-12(26-14)11-21-8-6-18(7-9-21)13(17(24)25)10-15(22)20(18)3/h4-5,13H,6-11H2,1-3H3,(H,24,25)/t13-/m0/s1.

What are the key properties of (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97197077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).