(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid

C18H19NO3 — CID 129452128

IUPAC(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid
SMILESCCC[C@@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-2-6-17(18(20)21)22-16-12-11-15(19-13-16)10-9-14-7-4-3-5-8-14/h3-5,7-13,17H,2,6H2,1H3,(H,20,21)/b10-9+/t17-/m1/s1
InChIKeyUDIWXZVIZRENIG-OAGJVSPASA-N
MW297.35 g/mol
LogP3.88
Rot. Bonds7

About (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid

(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid (PubChem CID 129452128) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid
PubChem CID129452128
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid
SMILESCCC[C@@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-2-6-17(18(20)21)22-16-12-11-15(19-13-16)10-9-14-7-4-3-5-8-14/h3-5,7-13,17H,2,6H2,1H3,(H,20,21)/b10-9+/t17-/m1/s1
InChIKeyUDIWXZVIZRENIG-OAGJVSPASA-N
XLogP3.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]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 (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid?
The IUPAC name of (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid (CID 129452128) is (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid.
What is the SMILES notation for (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid?
The canonical SMILES for (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid is CCC[C@@H](Oc1ccc(/C=C/c2ccccc2)nc1)C(=O)O.
What is the InChIKey of (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid?
The InChIKey is UDIWXZVIZRENIG-OAGJVSPASA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-6-17(18(20)21)22-16-12-11-15(19-13-16)10-9-14-7-4-3-5-8-14/h3-5,7-13,17H,2,6H2,1H3,(H,20,21)/b10-9+/t17-/m1/s1.
What are the key properties of (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid?
(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid is sourced from PubChem (CID 129452128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).