piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid

C12H14N4O8 — CID 161043307

IUPACpiperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid
SMILESO=C(O)C1NCCNC1C(=O)O.O=C(O)c1nccnc1C(=O)O
InChIInChI=1S/C6H10N2O4.C6H4N2O4/c2*9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12);1-2H,(H,9,10)(H,11,12)
InChIKeyUBDUIJYYKBVTJU-UHFFFAOYSA-N
MW342.26 g/mol
LogP-2.04
Rot. Bonds4

About piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid

piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid (PubChem CID 161043307) has the molecular formula C12H14N4O8 and a molecular weight of 342.26 g/mol. Its IUPAC name is piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid.

Molecular Properties

Compound Namepiperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid
PubChem CID161043307
Molecular FormulaC12H14N4O8
Molecular Weight342.26 g/mol
Exact Mass342.08
IUPAC Namepiperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid
SMILESO=C(O)C1NCCNC1C(=O)O.O=C(O)c1nccnc1C(=O)O
InChIInChI=1S/C6H10N2O4.C6H4N2O4/c2*9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12);1-2H,(H,9,10)(H,11,12)
InChIKeyUBDUIJYYKBVTJU-UHFFFAOYSA-N
XLogP-2.04
TPSA199.04 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.26
LogP ≤ 5-2.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid?
The IUPAC name of piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid (CID 161043307) is piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid.
What is the SMILES notation for piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid?
The canonical SMILES for piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid is O=C(O)C1NCCNC1C(=O)O.O=C(O)c1nccnc1C(=O)O.
What is the InChIKey of piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid?
The InChIKey is UBDUIJYYKBVTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4.C6H4N2O4/c2*9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12);1-2H,(H,9,10)(H,11,12).
What are the key properties of piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid?
piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid has a molecular weight of 342.26 g/mol, XLogP of -2.04, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid is sourced from PubChem (CID 161043307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).