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

C19H24N2O3 — CID 25109584

IUPAC3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
SMILESCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1
InChIInChI=1S/C19H24N2O3/c1-2-13-21(18-5-3-4-12-20-18)14-15-24-17-9-6-16(7-10-17)8-11-19(22)23/h3-7,9-10,12H,2,8,11,13-15H2,1H3,(H,22,23)
InChIKeyMXVKHBBNTPULPQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.39
Rot. Bonds10

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

3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid (PubChem CID 25109584) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
PubChem CID25109584
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
SMILESCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1
InChIInChI=1S/C19H24N2O3/c1-2-13-21(18-5-3-4-12-20-18)14-15-24-17-9-6-16(7-10-17)8-11-19(22)23/h3-7,9-10,12H,2,8,11,13-15H2,1H3,(H,22,23)
InChIKeyMXVKHBBNTPULPQ-UHFFFAOYSA-N
XLogP3.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid (CID 25109584) is 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid is CCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1.
What is the InChIKey of 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid?
The InChIKey is MXVKHBBNTPULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-13-21(18-5-3-4-12-20-18)14-15-24-17-9-6-16(7-10-17)8-11-19(22)23/h3-7,9-10,12H,2,8,11,13-15H2,1H3,(H,22,23).
What are the key properties of 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid?
3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 25109584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).