piperazine;propanedioic acid

C7H14N2O4 — CID 19773486

IUPACpiperazine;propanedioic acid
SMILESC1CNCCN1.O=C(O)CC(=O)O
InChIInChI=1S/C4H10N2.C3H4O4/c1-2-6-4-3-5-1;4-2(5)1-3(6)7/h5-6H,1-4H2;1H2,(H,4,5)(H,6,7)
InChIKeyLJUVNYQTWGVGFR-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.28
Rot. Bonds2

About piperazine;propanedioic acid

piperazine;propanedioic acid (PubChem CID 19773486) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is piperazine;propanedioic acid.

Molecular Properties

Compound Namepiperazine;propanedioic acid
PubChem CID19773486
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namepiperazine;propanedioic acid
SMILESC1CNCCN1.O=C(O)CC(=O)O
InChIInChI=1S/C4H10N2.C3H4O4/c1-2-6-4-3-5-1;4-2(5)1-3(6)7/h5-6H,1-4H2;1H2,(H,4,5)(H,6,7)
InChIKeyLJUVNYQTWGVGFR-UHFFFAOYSA-N
XLogP-1.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine;propanedioic acid?
The IUPAC name of piperazine;propanedioic acid (CID 19773486) is piperazine;propanedioic acid.
What is the SMILES notation for piperazine;propanedioic acid?
The canonical SMILES for piperazine;propanedioic acid is C1CNCCN1.O=C(O)CC(=O)O.
What is the InChIKey of piperazine;propanedioic acid?
The InChIKey is LJUVNYQTWGVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H4O4/c1-2-6-4-3-5-1;4-2(5)1-3(6)7/h5-6H,1-4H2;1H2,(H,4,5)(H,6,7).
What are the key properties of piperazine;propanedioic acid?
piperazine;propanedioic acid has a molecular weight of 190.20 g/mol, XLogP of -1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;propanedioic acid is sourced from PubChem (CID 19773486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).