8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H22N2O6 — CID 56901025

About 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56901025) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 56901025
• Molecular Formula: C17H22N2O6
• Molecular Weight: 350.37 g/mol
• Exact Mass: 350.15
• IUPAC Name: 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CC(=O)N1CCC2(CC1)CC(C(=O)O)N(Cc1ccc(C(=O)O)o1)C2
• InChI: InChI=1S/C17H22N2O6/c1-11(20)18-6-4-17(5-7-18)8-13(15(21)22)19(10-17)9-12-2-3-14(25-12)16(23)24/h2-3,13H,4-10H2,1H3,(H,21,22)(H,23,24)
• InChIKey: RUTFREFTOHBOJN-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.37
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56901025) is 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CCC2(CC1)CC(C(=O)O)N(Cc1ccc(C(=O)O)o1)C2.

What is the InChIKey of 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is RUTFREFTOHBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-11(20)18-6-4-17(5-7-18)8-13(15(21)22)19(10-17)9-12-2-3-14(25-12)16(23)24/h2-3,13H,4-10H2,1H3,(H,21,22)(H,23,24).

What are the key properties of 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56901025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).