(2R,3R)-piperazine-2,3-dicarboxylic acid

C6H10N2O4 — CID 29413693

IUPAC(2R,3R)-piperazine-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1NCCN[C@H]1C(=O)O
InChIInChI=1S/C6H10N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
InChIKeyZLSOKZQPVJYNKB-QWWZWVQMSA-N
MW174.16 g/mol
LogP-1.91
Rot. Bonds2

About (2R,3R)-piperazine-2,3-dicarboxylic acid

(2R,3R)-piperazine-2,3-dicarboxylic acid (PubChem CID 29413693) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (2R,3R)-piperazine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3R)-piperazine-2,3-dicarboxylic acid
PubChem CID29413693
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(2R,3R)-piperazine-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1NCCN[C@H]1C(=O)O
InChIInChI=1S/C6H10N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
InChIKeyZLSOKZQPVJYNKB-QWWZWVQMSA-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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Related Compounds

piperazine-2,3-dicarboxylic acid;pyrazine-2,3-dicarboxylic acid
CID 161043307
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
CID 55301751
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
3-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 72996039
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid
CID 155124572
(2S,3R)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 54594755
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990
(1S,2R,6S)-3-azabicyclo[4.1.0]heptane-2-carboxylic acid;hydrochloride
CID 154814140
3-propylpyrrolidine-2-carboxylic acid
CID 14482017
3-cycloheptylpyrrolidine-2-carboxylic acid
CID 79337893

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-piperazine-2,3-dicarboxylic acid?
The IUPAC name of (2R,3R)-piperazine-2,3-dicarboxylic acid (CID 29413693) is (2R,3R)-piperazine-2,3-dicarboxylic acid.
What is the SMILES notation for (2R,3R)-piperazine-2,3-dicarboxylic acid?
The canonical SMILES for (2R,3R)-piperazine-2,3-dicarboxylic acid is O=C(O)[C@@H]1NCCN[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-piperazine-2,3-dicarboxylic acid?
The InChIKey is ZLSOKZQPVJYNKB-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H10N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-piperazine-2,3-dicarboxylic acid?
(2R,3R)-piperazine-2,3-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 (2R,3R)-piperazine-2,3-dicarboxylic acid is sourced from PubChem (CID 29413693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).