3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid

C15H23N3O3 — CID 66326973

IUPAC3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
SMILESCCOc1ncnc(N2CCCCC2CCC(=O)O)c1C
InChIInChI=1S/C15H23N3O3/c1-3-21-15-11(2)14(16-10-17-15)18-9-5-4-6-12(18)7-8-13(19)20/h10,12H,3-9H2,1-2H3,(H,19,20)
InChIKeyQTNWIKYGFSHAKC-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.41
Rot. Bonds6

About 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid

3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid (PubChem CID 66326973) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
PubChem CID66326973
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
SMILESCCOc1ncnc(N2CCCCC2CCC(=O)O)c1C
InChIInChI=1S/C15H23N3O3/c1-3-21-15-11(2)14(16-10-17-15)18-9-5-4-6-12(18)7-8-13(19)20/h10,12H,3-9H2,1-2H3,(H,19,20)
InChIKeyQTNWIKYGFSHAKC-UHFFFAOYSA-N
XLogP2.41
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid (CID 66326973) is 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid is CCOc1ncnc(N2CCCCC2CCC(=O)O)c1C.
What is the InChIKey of 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
The InChIKey is QTNWIKYGFSHAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-21-15-11(2)14(16-10-17-15)18-9-5-4-6-12(18)7-8-13(19)20/h10,12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid?
3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 66326973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).