(3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H24N2O5 — CID 97041619

About (3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97041619) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 97041619
• Molecular Formula: C19H24N2O5
• Molecular Weight: 360.41 g/mol
• Exact Mass: 360.17
• IUPAC Name: (3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CC(=O)N1CC2(CCN(C(=O)c3cccc(O)c3C)CC2)C[C@@H]1C(=O)O
• InChI: InChI=1S/C19H24N2O5/c1-12-14(4-3-5-16(12)23)17(24)20-8-6-19(7-9-20)10-15(18(25)26)21(11-19)13(2)22/h3-5,15,23H,6-11H2,1-2H3,(H,25,26)/t15-/m1/s1
• InChIKey: NVMXAJXXNOZCAK-OAHLLOKOSA-N
• XLogP: 1.63
• TPSA: 98.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.41
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97041619) is (3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

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

The canonical SMILES for (3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CC2(CCN(C(=O)c3cccc(O)c3C)CC2)C[C@@H]1C(=O)O.

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

The InChIKey is NVMXAJXXNOZCAK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-14(4-3-5-16(12)23)17(24)20-8-6-19(7-9-20)10-15(18(25)26)21(11-19)13(2)22/h3-5,15,23H,6-11H2,1-2H3,(H,25,26)/t15-/m1/s1.

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

(3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97041619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).