(3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H28N2O5 — CID 95860695

About (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95860695) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95860695
• Molecular Formula: C20H28N2O5
• Molecular Weight: 376.45 g/mol
• Exact Mass: 376.20
• IUPAC Name: (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: COc1cccc(OC)c1CN1CC2(CCN(C(C)=O)CC2)C[C@@H]1C(=O)O
• InChI: InChI=1S/C20H28N2O5/c1-14(23)21-9-7-20(8-10-21)11-16(19(24)25)22(13-20)12-15-17(26-2)5-4-6-18(15)27-3/h4-6,16H,7-13H2,1-3H3,(H,24,25)/t16-/m1/s1
• InChIKey: ZLIIMHJSHUCXKS-MRXNPFEDSA-N
• XLogP: 1.99
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.45
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95860695) is (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1cccc(OC)c1CN1CC2(CCN(C(C)=O)CC2)C[C@@H]1C(=O)O.

What is the InChIKey of (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is ZLIIMHJSHUCXKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14(23)21-9-7-20(8-10-21)11-16(19(24)25)22(13-20)12-15-17(26-2)5-4-6-18(15)27-3/h4-6,16H,7-13H2,1-3H3,(H,24,25)/t16-/m1/s1.

What are the key properties of (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

(3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 376.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95860695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).