3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid

C14H21N3O3 — CID 66319433

IUPAC3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid
SMILESCCOc1cc(N2CCCC(CCC(=O)O)C2)ncn1
InChIInChI=1S/C14H21N3O3/c1-2-20-13-8-12(15-10-16-13)17-7-3-4-11(9-17)5-6-14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19)
InChIKeyAIELWMZUEAHDMW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.96
Rot. Bonds6

About 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid

3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid (PubChem CID 66319433) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid
PubChem CID66319433
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid
SMILESCCOc1cc(N2CCCC(CCC(=O)O)C2)ncn1
InChIInChI=1S/C14H21N3O3/c1-2-20-13-8-12(15-10-16-13)17-7-3-4-11(9-17)5-6-14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19)
InChIKeyAIELWMZUEAHDMW-UHFFFAOYSA-N
XLogP1.96
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic 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 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid (CID 66319433) is 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid is CCOc1cc(N2CCCC(CCC(=O)O)C2)ncn1.
What is the InChIKey of 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid?
The InChIKey is AIELWMZUEAHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-13-8-12(15-10-16-13)17-7-3-4-11(9-17)5-6-14(18)19/h8,10-11H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid?
3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 66319433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).