2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid

C24H24F2N2O6 — CID 69496959

IUPAC2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid
SMILESCCC(Oc1nc(Oc2cc(OCCO)cc(-c3cccc(CN)c3)c2)c(F)cc1F)C(=O)O
InChIInChI=1S/C24H24F2N2O6/c1-2-21(24(30)31)34-23-20(26)12-19(25)22(28-23)33-18-10-16(9-17(11-18)32-7-6-29)15-5-3-4-14(8-15)13-27/h3-5,8-12,21,29H,2,6-7,13,27H2,1H3,(H,30,31)
InChIKeyVSNPXFGRQXEHPC-UHFFFAOYSA-N
MW474.46 g/mol
LogP3.89
Rot. Bonds11

About 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid

2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid (PubChem CID 69496959) has the molecular formula C24H24F2N2O6 and a molecular weight of 474.46 g/mol. Its IUPAC name is 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid.

Molecular Properties

Compound Name2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid
PubChem CID69496959
Molecular FormulaC24H24F2N2O6
Molecular Weight474.46 g/mol
Exact Mass474.16
IUPAC Name2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid
SMILESCCC(Oc1nc(Oc2cc(OCCO)cc(-c3cccc(CN)c3)c2)c(F)cc1F)C(=O)O
InChIInChI=1S/C24H24F2N2O6/c1-2-21(24(30)31)34-23-20(26)12-19(25)22(28-23)33-18-10-16(9-17(11-18)32-7-6-29)15-5-3-4-14(8-15)13-27/h3-5,8-12,21,29H,2,6-7,13,27H2,1H3,(H,30,31)
InChIKeyVSNPXFGRQXEHPC-UHFFFAOYSA-N
XLogP3.89
TPSA124.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic 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-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid?
The IUPAC name of 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid (CID 69496959) is 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid.
What is the SMILES notation for 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid?
The canonical SMILES for 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid is CCC(Oc1nc(Oc2cc(OCCO)cc(-c3cccc(CN)c3)c2)c(F)cc1F)C(=O)O.
What is the InChIKey of 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid?
The InChIKey is VSNPXFGRQXEHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O6/c1-2-21(24(30)31)34-23-20(26)12-19(25)22(28-23)33-18-10-16(9-17(11-18)32-7-6-29)15-5-3-4-14(8-15)13-27/h3-5,8-12,21,29H,2,6-7,13,27H2,1H3,(H,30,31).
What are the key properties of 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid?
2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid has a molecular weight of 474.46 g/mol, XLogP of 3.89, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-[3-(aminomethyl)phenyl]-5-(2-hydroxyethoxy)phenoxy]-3,5-difluoro-2-pyridinyl]oxy]butanoic acid is sourced from PubChem (CID 69496959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).