2-methylpiperazine-1,2,4-tricarboxylic acid

C8H12N2O6 — CID 90766935

IUPAC2-methylpiperazine-1,2,4-tricarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CCN1C(=O)O
InChIInChI=1S/C8H12N2O6/c1-8(5(11)12)4-9(6(13)14)2-3-10(8)7(15)16/h2-4H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyJUUFJEDZMYZLGV-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.20
Rot. Bonds1

About 2-methylpiperazine-1,2,4-tricarboxylic acid

2-methylpiperazine-1,2,4-tricarboxylic acid (PubChem CID 90766935) has the molecular formula C8H12N2O6 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-methylpiperazine-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name2-methylpiperazine-1,2,4-tricarboxylic acid
PubChem CID90766935
Molecular FormulaC8H12N2O6
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-methylpiperazine-1,2,4-tricarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CCN1C(=O)O
InChIInChI=1S/C8H12N2O6/c1-8(5(11)12)4-9(6(13)14)2-3-10(8)7(15)16/h2-4H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyJUUFJEDZMYZLGV-UHFFFAOYSA-N
XLogP-0.20
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methylaziridine-1,2-dicarboxylic acid
CID 91246194
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
2-[(dibenzylamino)methyl]-2-methylpiperazine-1,4-dicarboxylic acid
CID 174953209
4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
CID 174806743
3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
CID 156538627
aziridine-1,2,2-tricarboxylic acid
CID 150921913
2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid
CID 90868223
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
CID 70559346
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid
CID 91509237
3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
CID 123427706

Frequently Asked Questions

What is the IUPAC name of 2-methylpiperazine-1,2,4-tricarboxylic acid?
The IUPAC name of 2-methylpiperazine-1,2,4-tricarboxylic acid (CID 90766935) is 2-methylpiperazine-1,2,4-tricarboxylic acid.
What is the SMILES notation for 2-methylpiperazine-1,2,4-tricarboxylic acid?
The canonical SMILES for 2-methylpiperazine-1,2,4-tricarboxylic acid is CC1(C(=O)O)CN(C(=O)O)CCN1C(=O)O.
What is the InChIKey of 2-methylpiperazine-1,2,4-tricarboxylic acid?
The InChIKey is JUUFJEDZMYZLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O6/c1-8(5(11)12)4-9(6(13)14)2-3-10(8)7(15)16/h2-4H2,1H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-methylpiperazine-1,2,4-tricarboxylic acid?
2-methylpiperazine-1,2,4-tricarboxylic acid has a molecular weight of 232.19 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperazine-1,2,4-tricarboxylic acid is sourced from PubChem (CID 90766935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).