(2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid

C9H16N2O5 — CID 123995770

IUPAC(2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid
SMILESCOC[C@H]1CN(C(=O)O)[C@H](C)CN1C(=O)O
InChIInChI=1S/C9H16N2O5/c1-6-3-11(9(14)15)7(5-16-2)4-10(6)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t6-,7-/m1/s1
InChIKeyZUPAZFYEZRWQIR-RNFRBKRXSA-N
MW232.24 g/mol
LogP0.36
Rot. Bonds2

About (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid

(2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid (PubChem CID 123995770) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid
PubChem CID123995770
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid
SMILESCOC[C@H]1CN(C(=O)O)[C@H](C)CN1C(=O)O
InChIInChI=1S/C9H16N2O5/c1-6-3-11(9(14)15)7(5-16-2)4-10(6)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t6-,7-/m1/s1
InChIKeyZUPAZFYEZRWQIR-RNFRBKRXSA-N
XLogP0.36
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid?
The IUPAC name of (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid (CID 123995770) is (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid.
What is the SMILES notation for (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid?
The canonical SMILES for (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid is COC[C@H]1CN(C(=O)O)[C@H](C)CN1C(=O)O.
What is the InChIKey of (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid?
The InChIKey is ZUPAZFYEZRWQIR-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-6-3-11(9(14)15)7(5-16-2)4-10(6)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t6-,7-/m1/s1.
What are the key properties of (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid?
(2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(methoxymethyl)-5-methylpiperazine-1,4-dicarboxylic acid is sourced from PubChem (CID 123995770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).