[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate

C10H14N2O3 — CID 10910803

IUPAC[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate
SMILESCCCC(=O)O[C@H](C)c1nccc(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-4-9(14)15-7(2)10-11-6-5-8(13)12-10/h5-7H,3-4H2,1-2H3,(H,11,12,13)/t7-/m1/s1
InChIKeySPNXBLQIKKTAGQ-SSDOTTSWSA-N
MW210.23 g/mol
LogP1.17
Rot. Bonds4

About [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate

[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate (PubChem CID 10910803) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate.

Molecular Properties

Compound Name[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate
PubChem CID10910803
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate
SMILESCCCC(=O)O[C@H](C)c1nccc(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-4-9(14)15-7(2)10-11-6-5-8(13)12-10/h5-7H,3-4H2,1-2H3,(H,11,12,13)/t7-/m1/s1
InChIKeySPNXBLQIKKTAGQ-SSDOTTSWSA-N
XLogP1.17
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate?
The IUPAC name of [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate (CID 10910803) is [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate.
What is the SMILES notation for [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate?
The canonical SMILES for [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate is CCCC(=O)O[C@H](C)c1nccc(=O)[nH]1.
What is the InChIKey of [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate?
The InChIKey is SPNXBLQIKKTAGQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-4-9(14)15-7(2)10-11-6-5-8(13)12-10/h5-7H,3-4H2,1-2H3,(H,11,12,13)/t7-/m1/s1.
What are the key properties of [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate?
[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate has a molecular weight of 210.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] butanoate is sourced from PubChem (CID 10910803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).