piperazine-2,5-dicarboxylic acid

C6H10N2O4 — CID 4179819

IUPACpiperazine-2,5-dicarboxylic acid
SMILESO=C(O)C1CNC(C(=O)O)CN1
InChIInChI=1S/C6H10N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)
InChIKeyFBYDNPVPBDAFFV-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.91
Rot. Bonds2

About piperazine-2,5-dicarboxylic acid

piperazine-2,5-dicarboxylic acid (PubChem CID 4179819) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is piperazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Namepiperazine-2,5-dicarboxylic acid
PubChem CID4179819
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Namepiperazine-2,5-dicarboxylic acid
SMILESO=C(O)C1CNC(C(=O)O)CN1
InChIInChI=1S/C6H10N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)
InChIKeyFBYDNPVPBDAFFV-UHFFFAOYSA-N
XLogP-1.91
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine-2,5-dicarboxylic acid?
The IUPAC name of piperazine-2,5-dicarboxylic acid (CID 4179819) is piperazine-2,5-dicarboxylic acid.
What is the SMILES notation for piperazine-2,5-dicarboxylic acid?
The canonical SMILES for piperazine-2,5-dicarboxylic acid is O=C(O)C1CNC(C(=O)O)CN1.
What is the InChIKey of piperazine-2,5-dicarboxylic acid?
The InChIKey is FBYDNPVPBDAFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of piperazine-2,5-dicarboxylic acid?
piperazine-2,5-dicarboxylic acid has a molecular weight of 174.16 g/mol, XLogP of -1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-2,5-dicarboxylic acid is sourced from PubChem (CID 4179819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).