(2R)-piperazine-2-carboxylate

C5H9N2O2- — CID 44602443

IUPAC(2R)-piperazine-2-carboxylate
SMILESO=C([O-])[C@H]1CNCCN1
InChIInChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/p-1/t4-/m1/s1
InChIKeyJSSXHAMIXJGYCS-SCSAIBSYSA-M
MW129.14 g/mol
LogP-2.70
Rot. Bonds1

About (2R)-piperazine-2-carboxylate

(2R)-piperazine-2-carboxylate (PubChem CID 44602443) has the molecular formula C5H9N2O2- and a molecular weight of 129.14 g/mol. Its IUPAC name is (2R)-piperazine-2-carboxylate.

Molecular Properties

Compound Name(2R)-piperazine-2-carboxylate
PubChem CID44602443
Molecular FormulaC5H9N2O2-
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name(2R)-piperazine-2-carboxylate
SMILESO=C([O-])[C@H]1CNCCN1
InChIInChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/p-1/t4-/m1/s1
InChIKeyJSSXHAMIXJGYCS-SCSAIBSYSA-M
XLogP-2.70
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 5-2.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-piperazine-2-carboxylate?
The IUPAC name of (2R)-piperazine-2-carboxylate (CID 44602443) is (2R)-piperazine-2-carboxylate.
What is the SMILES notation for (2R)-piperazine-2-carboxylate?
The canonical SMILES for (2R)-piperazine-2-carboxylate is O=C([O-])[C@H]1CNCCN1.
What is the InChIKey of (2R)-piperazine-2-carboxylate?
The InChIKey is JSSXHAMIXJGYCS-SCSAIBSYSA-M. 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)/p-1/t4-/m1/s1.
What are the key properties of (2R)-piperazine-2-carboxylate?
(2R)-piperazine-2-carboxylate has a molecular weight of 129.14 g/mol, XLogP of -2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-piperazine-2-carboxylate is sourced from PubChem (CID 44602443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).