3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid

C17H19NO4 — CID 10733047

IUPAC3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
SMILESCCc1c(OCc2ccccc2)c(=O)ccn1CCC(=O)O
InChIInChI=1S/C17H19NO4/c1-2-14-17(22-12-13-6-4-3-5-7-13)15(19)8-10-18(14)11-9-16(20)21/h3-8,10H,2,9,11-12H2,1H3,(H,20,21)
InChIKeyVLTRZCMBIOSAFZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.46
Rot. Bonds7

About 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid

3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid (PubChem CID 10733047) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
PubChem CID10733047
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
SMILESCCc1c(OCc2ccccc2)c(=O)ccn1CCC(=O)O
InChIInChI=1S/C17H19NO4/c1-2-14-17(22-12-13-6-4-3-5-7-13)15(19)8-10-18(14)11-9-16(20)21/h3-8,10H,2,9,11-12H2,1H3,(H,20,21)
InChIKeyVLTRZCMBIOSAFZ-UHFFFAOYSA-N
XLogP2.46
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic 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 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid (CID 10733047) is 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid is CCc1c(OCc2ccccc2)c(=O)ccn1CCC(=O)O.
What is the InChIKey of 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid?
The InChIKey is VLTRZCMBIOSAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-2-14-17(22-12-13-6-4-3-5-7-13)15(19)8-10-18(14)11-9-16(20)21/h3-8,10H,2,9,11-12H2,1H3,(H,20,21).
What are the key properties of 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid?
3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid is sourced from PubChem (CID 10733047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).