(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H22N2O4 — CID 124854223

About (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 124854223) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 124854223
• Molecular Formula: C19H22N2O4
• Molecular Weight: 342.39 g/mol
• Exact Mass: 342.16
• IUPAC Name: (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: Cc1c(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)oc2ccccc12
• InChI: InChI=1S/C19H22N2O4/c1-12-13-4-2-3-5-15(13)25-16(12)11-21-8-6-19(7-9-21)14(18(23)24)10-17(22)20-19/h2-5,14H,6-11H2,1H3,(H,20,22)(H,23,24)/t14-/m0/s1
• InChIKey: WULQBBQLIPTWBZ-AWEZNQCLSA-N
• XLogP: 2.30
• TPSA: 82.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.39
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 124854223) is (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1c(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)oc2ccccc12.

What is the InChIKey of (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is WULQBBQLIPTWBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-13-4-2-3-5-15(13)25-16(12)11-21-8-6-19(7-9-21)14(18(23)24)10-17(22)20-19/h2-5,14H,6-11H2,1H3,(H,20,22)(H,23,24)/t14-/m0/s1.

What are the key properties of (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 342.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 124854223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).