2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid

C17H22N2O4 — CID 69483421

IUPAC2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C=Cc1cncc(OC2CCOCC2)c1
InChIInChI=1S/C17H22N2O4/c20-17(21)19-7-1-2-14(19)4-3-13-10-16(12-18-11-13)23-15-5-8-22-9-6-15/h3-4,10-12,14-15H,1-2,5-9H2,(H,20,21)
InChIKeyXXHJDVMPHNMGDD-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.80
Rot. Bonds4

About 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid

2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid (PubChem CID 69483421) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid
PubChem CID69483421
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C=Cc1cncc(OC2CCOCC2)c1
InChIInChI=1S/C17H22N2O4/c20-17(21)19-7-1-2-14(19)4-3-13-10-16(12-18-11-13)23-15-5-8-22-9-6-15/h3-4,10-12,14-15H,1-2,5-9H2,(H,20,21)
InChIKeyXXHJDVMPHNMGDD-UHFFFAOYSA-N
XLogP2.80
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic 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-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid (CID 69483421) is 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1C=Cc1cncc(OC2CCOCC2)c1.
What is the InChIKey of 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid?
The InChIKey is XXHJDVMPHNMGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-17(21)19-7-1-2-14(19)4-3-13-10-16(12-18-11-13)23-15-5-8-22-9-6-15/h3-4,10-12,14-15H,1-2,5-9H2,(H,20,21).
What are the key properties of 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid?
2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69483421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).