2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid

C15H18N2O4 — CID 82346545

IUPAC2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid
SMILESCc1ccc(C)c(N2CC(=O)N(CC(=O)O)C(=O)C2C)c1
InChIInChI=1S/C15H18N2O4/c1-9-4-5-10(2)12(6-9)16-7-13(18)17(8-14(19)20)15(21)11(16)3/h4-6,11H,7-8H2,1-3H3,(H,19,20)
InChIKeyZDZXQDVGYNDPHP-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.95
Rot. Bonds3

About 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid

2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid (PubChem CID 82346545) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid
PubChem CID82346545
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid
SMILESCc1ccc(C)c(N2CC(=O)N(CC(=O)O)C(=O)C2C)c1
InChIInChI=1S/C15H18N2O4/c1-9-4-5-10(2)12(6-9)16-7-13(18)17(8-14(19)20)15(21)11(16)3/h4-6,11H,7-8H2,1-3H3,(H,19,20)
InChIKeyZDZXQDVGYNDPHP-UHFFFAOYSA-N
XLogP0.95
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4-Methyl-2-oxo-2H-quinolin-1-yl)-acetic acid
CID 268297
2-(4-Methyl-piperazin-1-yl)-N-o-tolyl-acetamide
CID 24761071
Methyl 2-[3-(diethylaminomethyl)-7-methyl-2-oxoquinolin-1-yl]acetate
CID 45488642
N-(2,5-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 4782331
1-[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-propan-1-one
CID 655680
2-[N-(2-aminopropanoyl)-4-methylanilino]acetic acid
CID 15615011
2-[Carboxymethyl-[[4-(dimethylamino)phenyl]methyl]amino]-2-oxoacetic acid
CID 44188278
2-[Carboxymethyl-[[3-(dimethylamino)phenyl]methyl]amino]-2-oxoacetic acid
CID 45271607
2-[4-(2-Tert-butylphenyl)piperazin-1-yl]-2-oxoacetic acid
CID 66750854
2-[N-(2-methylphenyl)acetamido]acetic acid
CID 4612049
1-(4-Diacetylaminobenzyl)-4-hexyl-2,3-dioxopiperazine
CID 3060275
1,4-Bis(2,5-dimethylphenyl)-2,5-piperazinedione
CID 978087

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid (CID 82346545) is 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid is Cc1ccc(C)c(N2CC(=O)N(CC(=O)O)C(=O)C2C)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid?
The InChIKey is ZDZXQDVGYNDPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-4-5-10(2)12(6-9)16-7-13(18)17(8-14(19)20)15(21)11(16)3/h4-6,11H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid?
2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)-3-methyl-2,6-dioxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 82346545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).