ethyl 3-hydroxy-2-purin-9-ylpropanoate

C10H12N4O3 — CID 70096273

IUPACethyl 3-hydroxy-2-purin-9-ylpropanoate
SMILESCCOC(=O)C(CO)n1cnc2cncnc21
InChIInChI=1S/C10H12N4O3/c1-2-17-10(16)8(4-15)14-6-13-7-3-11-5-12-9(7)14/h3,5-6,8,15H,2,4H2,1H3
InChIKeyZTHZGQXISJJQHN-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.08
Rot. Bonds4

About ethyl 3-hydroxy-2-purin-9-ylpropanoate

ethyl 3-hydroxy-2-purin-9-ylpropanoate (PubChem CID 70096273) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-purin-9-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-purin-9-ylpropanoate
PubChem CID70096273
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Nameethyl 3-hydroxy-2-purin-9-ylpropanoate
SMILESCCOC(=O)C(CO)n1cnc2cncnc21
InChIInChI=1S/C10H12N4O3/c1-2-17-10(16)8(4-15)14-6-13-7-3-11-5-12-9(7)14/h3,5-6,8,15H,2,4H2,1H3
InChIKeyZTHZGQXISJJQHN-UHFFFAOYSA-N
XLogP-0.08
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-purin-9-ylpropanoate?
The IUPAC name of ethyl 3-hydroxy-2-purin-9-ylpropanoate (CID 70096273) is ethyl 3-hydroxy-2-purin-9-ylpropanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-purin-9-ylpropanoate?
The canonical SMILES for ethyl 3-hydroxy-2-purin-9-ylpropanoate is CCOC(=O)C(CO)n1cnc2cncnc21.
What is the InChIKey of ethyl 3-hydroxy-2-purin-9-ylpropanoate?
The InChIKey is ZTHZGQXISJJQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-2-17-10(16)8(4-15)14-6-13-7-3-11-5-12-9(7)14/h3,5-6,8,15H,2,4H2,1H3.
What are the key properties of ethyl 3-hydroxy-2-purin-9-ylpropanoate?
ethyl 3-hydroxy-2-purin-9-ylpropanoate has a molecular weight of 236.23 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-purin-9-ylpropanoate is sourced from PubChem (CID 70096273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).