2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

C11H16N4O4 — CID 136958925

IUPAC2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESNc1c(N2CCC(OCC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O4/c12-9-10(13-6-14-11(9)18)15-3-1-7(2-4-15)19-5-8(16)17/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18)
InChIKeyQUVDOPIDPRVAES-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.58
Rot. Bonds4

About 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 136958925) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
PubChem CID136958925
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESNc1c(N2CCC(OCC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O4/c12-9-10(13-6-14-11(9)18)15-3-1-7(2-4-15)19-5-8(16)17/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18)
InChIKeyQUVDOPIDPRVAES-UHFFFAOYSA-N
XLogP-0.58
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (CID 136958925) is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is Nc1c(N2CCC(OCC(=O)O)CC2)nc[nH]c1=O.
What is the InChIKey of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is QUVDOPIDPRVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c12-9-10(13-6-14-11(9)18)15-3-1-7(2-4-15)19-5-8(16)17/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18).
What are the key properties of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 136958925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).