2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid

C13H19N3O3 — CID 136958585

IUPAC2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCCc1nc(N2CCCCC2CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-2-10-14-11(8-12(17)15-10)16-6-4-3-5-9(16)7-13(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyROVOERMJFMIBOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.17
Rot. Bonds4

About 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid

2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid (PubChem CID 136958585) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
PubChem CID136958585
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESCCc1nc(N2CCCCC2CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-2-10-14-11(8-12(17)15-10)16-6-4-3-5-9(16)7-13(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyROVOERMJFMIBOZ-UHFFFAOYSA-N
XLogP1.17
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid (CID 136958585) is 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid is CCc1nc(N2CCCCC2CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid?
The InChIKey is ROVOERMJFMIBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-10-14-11(8-12(17)15-10)16-6-4-3-5-9(16)7-13(18)19/h8-9H,2-7H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid?
2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 136958585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).