methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate

C9H12N2O3 — CID 146592949

IUPACmethyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate
SMILESCOC(=O)CCC1(C)N=CC=NC1=O
InChIInChI=1S/C9H12N2O3/c1-9(4-3-7(12)14-2)8(13)10-5-6-11-9/h5-6H,3-4H2,1-2H3
InChIKeyXQHUZBKNTACZCN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.38
Rot. Bonds3

About methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate

methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate (PubChem CID 146592949) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate
PubChem CID146592949
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate
SMILESCOC(=O)CCC1(C)N=CC=NC1=O
InChIInChI=1S/C9H12N2O3/c1-9(4-3-7(12)14-2)8(13)10-5-6-11-9/h5-6H,3-4H2,1-2H3
InChIKeyXQHUZBKNTACZCN-UHFFFAOYSA-N
XLogP0.38
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate?
The IUPAC name of methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate (CID 146592949) is methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate?
The canonical SMILES for methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate is COC(=O)CCC1(C)N=CC=NC1=O.
What is the InChIKey of methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate?
The InChIKey is XQHUZBKNTACZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(4-3-7(12)14-2)8(13)10-5-6-11-9/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate?
methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate has a molecular weight of 196.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methyl-3-oxopyrazin-2-yl)propanoate is sourced from PubChem (CID 146592949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).