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

C11H15N3O3 — CID 83852639

IUPAC2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1cc(N2CCCCC2)nc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c15-10(16)7-8-6-9(13-11(17)12-8)14-4-2-1-3-5-14/h6H,1-5,7H2,(H,15,16)(H,12,13,17)
InChIKeyHCXNPGOBIPIEDY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.39
Rot. Bonds3

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

2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83852639) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid
PubChem CID83852639
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1cc(N2CCCCC2)nc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c15-10(16)7-8-6-9(13-11(17)12-8)14-4-2-1-3-5-14/h6H,1-5,7H2,(H,15,16)(H,12,13,17)
InChIKeyHCXNPGOBIPIEDY-UHFFFAOYSA-N
XLogP0.39
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid (CID 83852639) is 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid is O=C(O)Cc1cc(N2CCCCC2)nc(=O)[nH]1.
What is the InChIKey of 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is HCXNPGOBIPIEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(16)7-8-6-9(13-11(17)12-8)14-4-2-1-3-5-14/h6H,1-5,7H2,(H,15,16)(H,12,13,17).
What are the key properties of 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid?
2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-piperidin-1-yl-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83852639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).