2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H24N4O5 — CID 70730826

About 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70730826) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 70730826
• Molecular Formula: C17H24N4O5
• Molecular Weight: 364.40 g/mol
• Exact Mass: 364.17
• IUPAC Name: 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: COc1cc(OC)nc(N2CCC3(CC2)CC(C(=O)O)N(C(C)=O)C3)n1
• InChI: InChI=1S/C17H24N4O5/c1-11(22)21-10-17(9-12(21)15(23)24)4-6-20(7-5-17)16-18-13(25-2)8-14(19-16)26-3/h8,12H,4-7,9-10H2,1-3H3,(H,23,24)
• InChIKey: XQMWCZPCARUJPH-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 105.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.40
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70730826) is 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1cc(OC)nc(N2CCC3(CC2)CC(C(=O)O)N(C(C)=O)C3)n1.

What is the InChIKey of 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is XQMWCZPCARUJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-11(22)21-10-17(9-12(21)15(23)24)4-6-20(7-5-17)16-18-13(25-2)8-14(19-16)26-3/h8,12H,4-7,9-10H2,1-3H3,(H,23,24).

What are the key properties of 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyl-8-(4,6-dimethoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70730826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).