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

C11H16N4O3 — CID 136958580

IUPAC2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESNc1c(N2CCCCC2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15-4-2-1-3-7(15)5-8(16)17/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18)
InChIKeyHYJHHYDFKRMHKP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.19
Rot. Bonds3

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

2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid (PubChem CID 136958580) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
PubChem CID136958580
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid
SMILESNc1c(N2CCCCC2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15-4-2-1-3-7(15)5-8(16)17/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18)
InChIKeyHYJHHYDFKRMHKP-UHFFFAOYSA-N
XLogP0.19
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid (CID 136958580) is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid is Nc1c(N2CCCCC2CC(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid?
The InChIKey is HYJHHYDFKRMHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15-4-2-1-3-7(15)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-2-yl]acetic acid?
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 136958580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).