3-(5-Ethyl-2-pyridinyl)propanoic acid

C10H13NO2 — CID 411803

IUPAC3-(5-ethyl-2-pyridinyl)propanoic acid
SMILESCCC1=CN=C(C=C1)CCC(=O)O
InChIInChI=1S/C10H13NO2/c1-2-8-3-4-9(11-7-8)5-6-10(12)13/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeySYOWXWWUBHUOSX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.40
Rot. Bonds4

About 3-(5-Ethyl-2-pyridinyl)propanoic acid

3-(5-Ethyl-2-pyridinyl)propanoic acid (PubChem CID 411803) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(5-ethyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(5-Ethyl-2-pyridinyl)propanoic acid
PubChem CID411803
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(5-ethyl-2-pyridinyl)propanoic acid
SMILESCCC1=CN=C(C=C1)CCC(=O)O
InChIInChI=1S/C10H13NO2/c1-2-8-3-4-9(11-7-8)5-6-10(12)13/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeySYOWXWWUBHUOSX-UHFFFAOYSA-N
XLogP1.40
TPSA50.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity170

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-Ethyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(5-Ethyl-2-pyridinyl)propanoic acid (CID 411803) is 3-(5-ethyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(5-Ethyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(5-Ethyl-2-pyridinyl)propanoic acid is CCC1=CN=C(C=C1)CCC(=O)O.
What is the InChIKey of 3-(5-Ethyl-2-pyridinyl)propanoic acid?
The InChIKey is SYOWXWWUBHUOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-8-3-4-9(11-7-8)5-6-10(12)13/h3-4,7H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 3-(5-Ethyl-2-pyridinyl)propanoic acid?
3-(5-Ethyl-2-pyridinyl)propanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-Ethyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 411803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).