3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid

C18H22N2O3 — CID 25109583

IUPAC3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
SMILESCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1
InChIInChI=1S/C18H22N2O3/c1-2-20(17-5-3-4-12-19-17)13-14-23-16-9-6-15(7-10-16)8-11-18(21)22/h3-7,9-10,12H,2,8,11,13-14H2,1H3,(H,21,22)
InChIKeyCGUIINAMRIGSKP-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.00
Rot. Bonds9

About 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid

3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid (PubChem CID 25109583) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
PubChem CID25109583
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
SMILESCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1
InChIInChI=1S/C18H22N2O3/c1-2-20(17-5-3-4-12-19-17)13-14-23-16-9-6-15(7-10-16)8-11-18(21)22/h3-7,9-10,12H,2,8,11,13-14H2,1H3,(H,21,22)
InChIKeyCGUIINAMRIGSKP-UHFFFAOYSA-N
XLogP3.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid (CID 25109583) is 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid is CCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.
What is the InChIKey of 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid?
The InChIKey is CGUIINAMRIGSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-20(17-5-3-4-12-19-17)13-14-23-16-9-6-15(7-10-16)8-11-18(21)22/h3-7,9-10,12H,2,8,11,13-14H2,1H3,(H,21,22).
What are the key properties of 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid?
3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid has a molecular weight of 314.39 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 25109583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).