(2S)-piperazin-1-ium-2-carboxylate

C5H10N2O2 — CID 46878480

IUPAC(2S)-piperazin-1-ium-2-carboxylate
SMILESO=C([O-])[C@@H]1CNCC[NH2+]1
InChIInChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKeyJSSXHAMIXJGYCS-BYPYZUCNSA-N
MW130.15 g/mol
LogP-3.73
Rot. Bonds1

About (2S)-piperazin-1-ium-2-carboxylate

(2S)-piperazin-1-ium-2-carboxylate (PubChem CID 46878480) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (2S)-piperazin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2S)-piperazin-1-ium-2-carboxylate
PubChem CID46878480
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(2S)-piperazin-1-ium-2-carboxylate
SMILESO=C([O-])[C@@H]1CNCC[NH2+]1
InChIInChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKeyJSSXHAMIXJGYCS-BYPYZUCNSA-N
XLogP-3.73
TPSA68.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-3.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-piperazin-1-ium-2-carboxylate?
The IUPAC name of (2S)-piperazin-1-ium-2-carboxylate (CID 46878480) is (2S)-piperazin-1-ium-2-carboxylate.
What is the SMILES notation for (2S)-piperazin-1-ium-2-carboxylate?
The canonical SMILES for (2S)-piperazin-1-ium-2-carboxylate is O=C([O-])[C@@H]1CNCC[NH2+]1.
What is the InChIKey of (2S)-piperazin-1-ium-2-carboxylate?
The InChIKey is JSSXHAMIXJGYCS-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-piperazin-1-ium-2-carboxylate?
(2S)-piperazin-1-ium-2-carboxylate has a molecular weight of 130.15 g/mol, XLogP of -3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-piperazin-1-ium-2-carboxylate is sourced from PubChem (CID 46878480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).