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

C15H20N2O4 — CID 70744567

IUPAC6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1cccc(C(=O)O)n1)CC2
InChIInChI=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
InChIKeyUUBGYNITHYGJOB-NEPJUHHUSA-N
MW292.33 g/mol
LogP1.15
Rot. Bonds3

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 Name6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
PubChem CID70744567
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1cccc(C(=O)O)n1)CC2
InChIInChI=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
InChIKeyUUBGYNITHYGJOB-NEPJUHHUSA-N
XLogP1.15
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).