2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid

C10H14N2O3S — CID 62938754

IUPAC2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid
SMILESCC(C)Cn1ccnc(SCC(=O)O)c1=O
InChIInChI=1S/C10H14N2O3S/c1-7(2)5-12-4-3-11-9(10(12)15)16-6-8(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyGQUYBCSHUYPYDQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid

2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid (PubChem CID 62938754) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid
PubChem CID62938754
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid
SMILESCC(C)Cn1ccnc(SCC(=O)O)c1=O
InChIInChI=1S/C10H14N2O3S/c1-7(2)5-12-4-3-11-9(10(12)15)16-6-8(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyGQUYBCSHUYPYDQ-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid (CID 62938754) is 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid is CC(C)Cn1ccnc(SCC(=O)O)c1=O.
What is the InChIKey of 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid?
The InChIKey is GQUYBCSHUYPYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7(2)5-12-4-3-11-9(10(12)15)16-6-8(13)14/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid?
2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid has a molecular weight of 242.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 62938754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).