6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid

C15H20N2O4 — CID 70744567

About 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid

6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid (PubChem CID 70744567) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
• PubChem CID: 70744567
• Molecular Formula: C15H20N2O4
• Molecular Weight: 292.33 g/mol
• Exact Mass: 292.14
• IUPAC Name: 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
• SMILES: CO[C@H]1C[C@@H](O)C12CCN(c1cccc(C(=O)O)n1)CC2
• InChI: InChI=1S/C15H20N2O4/c1-21-12-9-11(18)15(12)5-7-17(8-6-15)13-4-2-3-10(16-13)14(19)20/h2-4,11-12,18H,5-9H2,1H3,(H,19,20)/t11-,12+/m1/s1
• InChIKey: UUBGYNITHYGJOB-NEPJUHHUSA-N
• XLogP: 1.15
• TPSA: 82.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.33
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid?

The IUPAC name of 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid (CID 70744567) is 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid is CO[C@H]1C[C@@H](O)C12CCN(c1cccc(C(=O)O)n1)CC2.

What is the InChIKey of 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid?

The InChIKey is UUBGYNITHYGJOB-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-9-11(18)15(12)5-7-17(8-6-15)13-4-2-3-10(16-13)14(19)20/h2-4,11-12,18H,5-9H2,1H3,(H,19,20)/t11-,12+/m1/s1.

What are the key properties of 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid?

6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 70744567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).