2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid

C10H14N2O4 — CID 80997372

IUPAC2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1C1CCC1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-9(14)11-8(13)4-12(5)7-3-2-6(7)10(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyJGDVGIOEKCAKBX-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.80
Rot. Bonds2

About 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid

2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 80997372) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID80997372
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1C1CCC1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-9(14)11-8(13)4-12(5)7-3-2-6(7)10(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyJGDVGIOEKCAKBX-UHFFFAOYSA-N
XLogP-0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione
CID 114762627
4-(4-aminocyclohexyl)-3-methylpiperazine-2,6-dione
CID 66062703
2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79382570
4-(3-aminocyclohexyl)-3-methylpiperazine-2,6-dione
CID 79469475
4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66074655
2-(3-oxo-1,4-diazepan-1-yl)cyclobutane-1-carboxylic acid
CID 80996704
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione
CID 79615830
4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione
CID 79207069

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid (CID 80997372) is 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid is CC1C(=O)NC(=O)CN1C1CCC1C(=O)O.
What is the InChIKey of 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is JGDVGIOEKCAKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-9(14)11-8(13)4-12(5)7-3-2-6(7)10(15)16/h5-7H,2-4H2,1H3,(H,15,16)(H,11,13,14).
What are the key properties of 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid?
2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).