(3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H22N2O5 — CID 95658062

About (3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95658062) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95658062
• Molecular Formula: C17H22N2O5
• Molecular Weight: 334.37 g/mol
• Exact Mass: 334.15
• IUPAC Name: (3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: COc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)c1
• InChI: InChI=1S/C17H22N2O5/c1-18-8-6-17(7-9-18)19(14(11-24-17)16(21)22)15(20)12-4-3-5-13(10-12)23-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,21,22)/t14-/m1/s1
• InChIKey: NYKDDWGLDNIEGU-CQSZACIVSA-N
• XLogP: 1.04
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.37
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95658062) is (3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

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

The canonical SMILES for (3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(C)CC3)c1.

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

The InChIKey is NYKDDWGLDNIEGU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-18-8-6-17(7-9-18)19(14(11-24-17)16(21)22)15(20)12-4-3-5-13(10-12)23-2/h3-5,10,14H,6-9,11H2,1-2H3,(H,21,22)/t14-/m1/s1.

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

(3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95658062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).