5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid

C16H16N2O3 — CID 3154329

IUPAC5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccccn1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c19-15(18-14-8-4-5-9-17-14)10-13(11-16(20)21)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,20,21)(H,17,18,19)
InChIKeyGSCMLKCGCNHMEB-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.67
Rot. Bonds6

About 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid

5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid (PubChem CID 3154329) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid
PubChem CID3154329
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccccn1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c19-15(18-14-8-4-5-9-17-14)10-13(11-16(20)21)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,20,21)(H,17,18,19)
InChIKeyGSCMLKCGCNHMEB-UHFFFAOYSA-N
XLogP2.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxo-3-phenyl-5-(pyridin-2-ylamino)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 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid (CID 3154329) is 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid is O=C(O)CC(CC(=O)Nc1ccccn1)c1ccccc1.
What is the InChIKey of 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid?
The InChIKey is GSCMLKCGCNHMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(18-14-8-4-5-9-17-14)10-13(11-16(20)21)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,20,21)(H,17,18,19).
What are the key properties of 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid?
5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid has a molecular weight of 284.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid is sourced from PubChem (CID 3154329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).