5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid

C20H24N2O3 — CID 157026170

About 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid

5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid (PubChem CID 157026170) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid
• PubChem CID: 157026170
• Molecular Formula: C20H24N2O3
• Molecular Weight: 340.42 g/mol
• Exact Mass: 340.18
• IUPAC Name: 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(C(=O)O)c2)C2(C)CNC2)cc1
• InChI: InChI=1S/C20H24N2O3/c1-13(2)14-4-6-16(7-5-14)20(25,19(3)11-22-12-19)17-8-15(18(23)24)9-21-10-17/h4-10,13,22,25H,11-12H2,1-3H3,(H,23,24)/t20-/m0/s1
• InChIKey: JTVCZWDUWVDSGF-FQEVSTJZSA-N
• XLogP: 2.75
• TPSA: 82.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.42
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid (CID 157026170) is 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid is CC(C)c1ccc([C@](O)(c2cncc(C(=O)O)c2)C2(C)CNC2)cc1.

What is the InChIKey of 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid?

The InChIKey is JTVCZWDUWVDSGF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)14-4-6-16(7-5-14)20(25,19(3)11-22-12-19)17-8-15(18(23)24)9-21-10-17/h4-10,13,22,25H,11-12H2,1-3H3,(H,23,24)/t20-/m0/s1.

What are the key properties of 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid?

5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(R)-hydroxy-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157026170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).