2,3-ditert-butylpiperazine-1,2-dicarboxylic acid

C14H26N2O4 — CID 53421736

IUPAC2,3-ditert-butylpiperazine-1,2-dicarboxylic acid
SMILESCC(C)(C)C1NCCN(C(=O)O)C1(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-12(2,3)9-14(10(17)18,13(4,5)6)16(11(19)20)8-7-15-9/h9,15H,7-8H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyRUPWIGCUXSLKFZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.85
Rot. Bonds1

About 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid

2,3-ditert-butylpiperazine-1,2-dicarboxylic acid (PubChem CID 53421736) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2,3-ditert-butylpiperazine-1,2-dicarboxylic acid
PubChem CID53421736
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2,3-ditert-butylpiperazine-1,2-dicarboxylic acid
SMILESCC(C)(C)C1NCCN(C(=O)O)C1(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-12(2,3)9-14(10(17)18,13(4,5)6)16(11(19)20)8-7-15-9/h9,15H,7-8H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyRUPWIGCUXSLKFZ-UHFFFAOYSA-N
XLogP1.85
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid?
The IUPAC name of 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid (CID 53421736) is 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid.
What is the SMILES notation for 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid?
The canonical SMILES for 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid is CC(C)(C)C1NCCN(C(=O)O)C1(C(=O)O)C(C)(C)C.
What is the InChIKey of 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid?
The InChIKey is RUPWIGCUXSLKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-12(2,3)9-14(10(17)18,13(4,5)6)16(11(19)20)8-7-15-9/h9,15H,7-8H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid?
2,3-ditert-butylpiperazine-1,2-dicarboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butylpiperazine-1,2-dicarboxylic acid is sourced from PubChem (CID 53421736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).