8-(2,5-dioxopyrrolidin-1-yl)octanoic acid

C12H19NO4 — CID 10562086

IUPAC8-(2,5-dioxopyrrolidin-1-yl)octanoic acid
SMILESO=C(O)CCCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C12H19NO4/c14-10-7-8-11(15)13(10)9-5-3-1-2-4-6-12(16)17/h1-9H2,(H,16,17)
InChIKeyIAOVFMNETGXCGK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.56
Rot. Bonds8

About 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid

8-(2,5-dioxopyrrolidin-1-yl)octanoic acid (PubChem CID 10562086) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid.

Molecular Properties

Compound Name8-(2,5-dioxopyrrolidin-1-yl)octanoic acid
PubChem CID10562086
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name8-(2,5-dioxopyrrolidin-1-yl)octanoic acid
SMILESO=C(O)CCCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C12H19NO4/c14-10-7-8-11(15)13(10)9-5-3-1-2-4-6-12(16)17/h1-9H2,(H,16,17)
InChIKeyIAOVFMNETGXCGK-UHFFFAOYSA-N
XLogP1.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-Carboxy-n-pentyl)succinimide
CID 303580
8-((2,5-Dioxopyrrolidin-1-yl)oxy)-8-oxooctanoic acid
CID 71340631
7-(2-Octyl-5-oxopyrrolidin-1-yl)heptanoic acid
CID 85908399
11-(2,5-Dioxopyrrolidin-1-yl)undecanoic acid
CID 303577
11-deoxy-13,14-dihydro-8-azaprostaglandin E(1)
CID 191636
7-(3,3-Difluoro-2-oxopyrrolidin-1-yl)heptanoic acid
CID 129208005
Methyl 7-(2,5-dioxopyrrolidin-1-yl)-6-hydroxyheptanoate
CID 10422580
7-(2-Oxo-5-oxopyrrolidin-1-yl)heptanoic acid, ethyl ester
CID 13519821
6-(2,5-Dioxopyrrolidin-1-yl)hexaneperoxoic acid
CID 14716644
7-[Acetyl(6-carboxyhexyl)amino]heptanoic acid
CID 15084878
2-(2,5-Dioxopyrrolidin-1-yl)tetradecanoic acid
CID 17817563
Carbonic acid;1-dodecanoylpyrrolidin-2-one
CID 17967192

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid?
The IUPAC name of 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid (CID 10562086) is 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid.
What is the SMILES notation for 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid?
The canonical SMILES for 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid is O=C(O)CCCCCCCN1C(=O)CCC1=O.
What is the InChIKey of 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid?
The InChIKey is IAOVFMNETGXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-10-7-8-11(15)13(10)9-5-3-1-2-4-6-12(16)17/h1-9H2,(H,16,17).
What are the key properties of 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid?
8-(2,5-dioxopyrrolidin-1-yl)octanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dioxopyrrolidin-1-yl)octanoic acid is sourced from PubChem (CID 10562086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).