ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate

C11H14N2O3 — CID 137356965

IUPACethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CCC1c1ncc(O)cn1
InChIInChI=1S/C11H14N2O3/c1-2-16-11(15)9-4-3-8(9)10-12-5-7(14)6-13-10/h5-6,8-9,14H,2-4H2,1H3
InChIKeyVQUHFHLPYGDUAW-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.24
Rot. Bonds3

About ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate

ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate (PubChem CID 137356965) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate
PubChem CID137356965
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CCC1c1ncc(O)cn1
InChIInChI=1S/C11H14N2O3/c1-2-16-11(15)9-4-3-8(9)10-12-5-7(14)6-13-10/h5-6,8-9,14H,2-4H2,1H3
InChIKeyVQUHFHLPYGDUAW-UHFFFAOYSA-N
XLogP1.24
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate (CID 137356965) is ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate is CCOC(=O)C1CCC1c1ncc(O)cn1.
What is the InChIKey of ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate?
The InChIKey is VQUHFHLPYGDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-16-11(15)9-4-3-8(9)10-12-5-7(14)6-13-10/h5-6,8-9,14H,2-4H2,1H3.
What are the key properties of ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate?
ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-hydroxypyrimidin-2-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 137356965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).