2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid

C23H23N3O3 — CID 68803098

IUPAC2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H23N3O3/c27-22(28)26-14-6-11-20(26)21(17-7-2-1-3-8-17)23(29,18-9-4-12-24-15-18)19-10-5-13-25-16-19/h1-5,7-10,12-13,15-16,20-21,29H,6,11,14H2,(H,27,28)
InChIKeyJXDRZVXCCVNRIV-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.64
Rot. Bonds5

About 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid

2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid (PubChem CID 68803098) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid
PubChem CID68803098
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC Name2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H23N3O3/c27-22(28)26-14-6-11-20(26)21(17-7-2-1-3-8-17)23(29,18-9-4-12-24-15-18)19-10-5-13-25-16-19/h1-5,7-10,12-13,15-16,20-21,29H,6,11,14H2,(H,27,28)
InChIKeyJXDRZVXCCVNRIV-UHFFFAOYSA-N
XLogP3.64
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid (CID 68803098) is 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is JXDRZVXCCVNRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(28)26-14-6-11-20(26)21(17-7-2-1-3-8-17)23(29,18-9-4-12-24-15-18)19-10-5-13-25-16-19/h1-5,7-10,12-13,15-16,20-21,29H,6,11,14H2,(H,27,28).
What are the key properties of 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid?
2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68803098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).