2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid

C18H22N2O3 — CID 46992640

IUPAC2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
SMILESCC(C)CN(Cc1ccc(O)c(C(=O)O)c1)Cc1ccccn1
InChIInChI=1S/C18H22N2O3/c1-13(2)10-20(12-15-5-3-4-8-19-15)11-14-6-7-17(21)16(9-14)18(22)23/h3-9,13,21H,10-12H2,1-2H3,(H,22,23)
InChIKeyUWEDUQJDZCKVMH-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.14
Rot. Bonds7

About 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid

2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid (PubChem CID 46992640) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
PubChem CID46992640
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
SMILESCC(C)CN(Cc1ccc(O)c(C(=O)O)c1)Cc1ccccn1
InChIInChI=1S/C18H22N2O3/c1-13(2)10-20(12-15-5-3-4-8-19-15)11-14-6-7-17(21)16(9-14)18(22)23/h3-9,13,21H,10-12H2,1-2H3,(H,22,23)
InChIKeyUWEDUQJDZCKVMH-UHFFFAOYSA-N
XLogP3.14
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic 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-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid (CID 46992640) is 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid is CC(C)CN(Cc1ccc(O)c(C(=O)O)c1)Cc1ccccn1.
What is the InChIKey of 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid?
The InChIKey is UWEDUQJDZCKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(2)10-20(12-15-5-3-4-8-19-15)11-14-6-7-17(21)16(9-14)18(22)23/h3-9,13,21H,10-12H2,1-2H3,(H,22,23).
What are the key properties of 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid?
2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid has a molecular weight of 314.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid is sourced from PubChem (CID 46992640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).