2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

C19H21N5O2 — CID 123990328

IUPAC2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(Cc1cccc(-c2cccnc2)c1)c1nn[nH]n1
InChIInChI=1S/C19H21N5O2/c1-2-5-16(19(25)26)17(18-21-23-24-22-18)11-13-6-3-7-14(10-13)15-8-4-9-20-12-15/h3-4,6-10,12,16-17H,2,5,11H2,1H3,(H,25,26)(H,21,22,23,24)
InChIKeyFOVHJNZLBHKDMU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.09
Rot. Bonds8

About 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 123990328) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID123990328
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(Cc1cccc(-c2cccnc2)c1)c1nn[nH]n1
InChIInChI=1S/C19H21N5O2/c1-2-5-16(19(25)26)17(18-21-23-24-22-18)11-13-6-3-7-14(10-13)15-8-4-9-20-12-15/h3-4,6-10,12,16-17H,2,5,11H2,1H3,(H,25,26)(H,21,22,23,24)
InChIKeyFOVHJNZLBHKDMU-UHFFFAOYSA-N
XLogP3.09
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 123990328) is 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCCC(C(=O)O)C(Cc1cccc(-c2cccnc2)c1)c1nn[nH]n1.
What is the InChIKey of 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is FOVHJNZLBHKDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-5-16(19(25)26)17(18-21-23-24-22-18)11-13-6-3-7-14(10-13)15-8-4-9-20-12-15/h3-4,6-10,12,16-17H,2,5,11H2,1H3,(H,25,26)(H,21,22,23,24).
What are the key properties of 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 351.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyridin-3-ylphenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 123990328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).