(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine

C8H16N2O6 — CID 76972105

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine
SMILESC1CNCCN1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H10N2.C4H6O6/c1-2-6-4-3-5-1;5-1(3(7)8)2(6)4(9)10/h5-6H,1-4H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyVNFVKWMKVDOSKT-LREBCSMRSA-N
MW236.22 g/mol
LogP-2.94
Rot. Bonds3

About (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine

(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine (PubChem CID 76972105) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine
PubChem CID76972105
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine
SMILESC1CNCCN1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H10N2.C4H6O6/c1-2-6-4-3-5-1;5-1(3(7)8)2(6)4(9)10/h5-6H,1-4H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyVNFVKWMKVDOSKT-LREBCSMRSA-N
XLogP-2.94
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.22
LogP ≤ 5-2.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine (CID 76972105) is (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine is C1CNCCN1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine?
The InChIKey is VNFVKWMKVDOSKT-LREBCSMRSA-N. The full InChI is InChI=1S/C4H10N2.C4H6O6/c1-2-6-4-3-5-1;5-1(3(7)8)2(6)4(9)10/h5-6H,1-4H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine?
(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine has a molecular weight of 236.22 g/mol, XLogP of -2.94, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;piperazine is sourced from PubChem (CID 76972105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).