5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid

C20H24N2O4 — CID 2814284

IUPAC5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid
SMILESCC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cn2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)14-7-10-16(11-8-14)26-18-12-9-15(13-21-18)22-17(23)5-4-6-19(24)25/h7-13H,4-6H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyRGQLCMDSTXSTHF-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.36
Rot. Bonds7

About 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid

5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid (PubChem CID 2814284) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid
PubChem CID2814284
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid
SMILESCC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cn2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)14-7-10-16(11-8-14)26-18-12-9-15(13-21-18)22-17(23)5-4-6-19(24)25/h7-13H,4-6H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyRGQLCMDSTXSTHF-UHFFFAOYSA-N
XLogP4.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic 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 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid (CID 2814284) is 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid is CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cn2)cc1.
What is the InChIKey of 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid?
The InChIKey is RGQLCMDSTXSTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)14-7-10-16(11-8-14)26-18-12-9-15(13-21-18)22-17(23)5-4-6-19(24)25/h7-13H,4-6H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid?
5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid has a molecular weight of 356.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 2814284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).