ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate

C9H12N2O3 — CID 122508295

IUPACethyl 2-hydroxy-3-pyrazin-2-ylpropanoate
SMILESCCOC(=O)C(O)Cc1cnccn1
InChIInChI=1S/C9H12N2O3/c1-2-14-9(13)8(12)5-7-6-10-3-4-11-7/h3-4,6,8,12H,2,5H2,1H3
InChIKeyMUFIARIFMWWLIT-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.06
Rot. Bonds4

About ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate

ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate (PubChem CID 122508295) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-pyrazin-2-ylpropanoate
PubChem CID122508295
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 2-hydroxy-3-pyrazin-2-ylpropanoate
SMILESCCOC(=O)C(O)Cc1cnccn1
InChIInChI=1S/C9H12N2O3/c1-2-14-9(13)8(12)5-7-6-10-3-4-11-7/h3-4,6,8,12H,2,5H2,1H3
InChIKeyMUFIARIFMWWLIT-UHFFFAOYSA-N
XLogP-0.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate?
The IUPAC name of ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate (CID 122508295) is ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate?
The canonical SMILES for ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate is CCOC(=O)C(O)Cc1cnccn1.
What is the InChIKey of ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate?
The InChIKey is MUFIARIFMWWLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-14-9(13)8(12)5-7-6-10-3-4-11-7/h3-4,6,8,12H,2,5H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate?
ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate has a molecular weight of 196.21 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-pyrazin-2-ylpropanoate is sourced from PubChem (CID 122508295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).