5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid

C11H18N2O4 — CID 79936678

IUPAC5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid
SMILESCCN1CC(=O)N(CCCCC(=O)O)CC1=O
InChIInChI=1S/C11H18N2O4/c1-2-12-7-10(15)13(8-9(12)14)6-4-3-5-11(16)17/h2-8H2,1H3,(H,16,17)
InChIKeyWBOKEMNVLQYHHC-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.07
Rot. Bonds6

About 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid

5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid (PubChem CID 79936678) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid
PubChem CID79936678
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid
SMILESCCN1CC(=O)N(CCCCC(=O)O)CC1=O
InChIInChI=1S/C11H18N2O4/c1-2-12-7-10(15)13(8-9(12)14)6-4-3-5-11(16)17/h2-8H2,1H3,(H,16,17)
InChIKeyWBOKEMNVLQYHHC-UHFFFAOYSA-N
XLogP-0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibutylpiperazine-2,5-dione
CID 19902955
4-[4-[4-[4-(3-carboxypropanoylamino)butyl]-2,5-dioxopiperazin-1-yl]butylamino]-4-oxobutanoic acid
CID 10434194
1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione
CID 79937575
5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
CID 79942052
4-[(4-ethyl-3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122022705
hexanedioic acid;propan-2-one
CID 158520683
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione
CID 115825071
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
1-(9-bromononyl)-4-propylpiperazine-2,5-dione
CID 105343167
5-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 102889464

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid?
The IUPAC name of 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid (CID 79936678) is 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid is CCN1CC(=O)N(CCCCC(=O)O)CC1=O.
What is the InChIKey of 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid?
The InChIKey is WBOKEMNVLQYHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-12-7-10(15)13(8-9(12)14)6-4-3-5-11(16)17/h2-8H2,1H3,(H,16,17).
What are the key properties of 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid?
5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 79936678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).