4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H21ClN2O4 — CID 75360378

About 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 75360378) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 75360378
• Molecular Formula: C17H21ClN2O4
• Molecular Weight: 352.82 g/mol
• Exact Mass: 352.12
• IUPAC Name: 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CN1CCC2(CC1)OCC(C(=O)O)N2C(=O)Cc1ccc(Cl)cc1
• InChI: InChI=1S/C17H21ClN2O4/c1-19-8-6-17(7-9-19)20(14(11-24-17)16(22)23)15(21)10-12-2-4-13(18)5-3-12/h2-5,14H,6-11H2,1H3,(H,22,23)
• InChIKey: GXQGXLJRMMMTST-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.82
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 75360378) is 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CCC2(CC1)OCC(C(=O)O)N2C(=O)Cc1ccc(Cl)cc1.

What is the InChIKey of 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is GXQGXLJRMMMTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-19-8-6-17(7-9-19)20(14(11-24-17)16(22)23)15(21)10-12-2-4-13(18)5-3-12/h2-5,14H,6-11H2,1H3,(H,22,23).

What are the key properties of 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?

4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 352.82 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-chlorophenyl)acetyl]-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 75360378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).