(2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate

C12H18N2O5 — CID 22950254

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate
SMILESCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O5/c1-9(15)13-8-4-2-3-5-12(18)19-14-10(16)6-7-11(14)17/h2-8H2,1H3,(H,13,15)
InChIKeyKVPZOOONPHNXET-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.29
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate

(2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate (PubChem CID 22950254) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate
PubChem CID22950254
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate
SMILESCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O5/c1-9(15)13-8-4-2-3-5-12(18)19-14-10(16)6-7-11(14)17/h2-8H2,1H3,(H,13,15)
InChIKeyKVPZOOONPHNXET-UHFFFAOYSA-N
XLogP0.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate 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

Boc-6-Ahx-OSu
CID 5074016
2,5-dioxopyrrolidin-1-yl N2,N6-diacetyllysinate
CID 59434220
N-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)prop-2-enamide
CID 2762590
2,5-Dioxopyrrolidin-1-YL 6-(2,2,2-trifluoroacetamido)hexanoate
CID 3491715
(2,5-Dioxopyrrolidin-1-yl) 12-[(2,2,2-trifluoroacetyl)amino]dodecanoate
CID 21043577
(2,5-Dioxopyrrolidin-1-yl) 6-[(2-fluoro-2-propylhept-3-ynoyl)amino]hexanoate
CID 118533343
(2,5-Dioxopyrrolidin-1-yl) 6-[(2,2,2-trifluoroacetyl)amino]hexanoate;ethane
CID 144774365
(2,5-Dioxopyrrolidin-1-yl) 6-[(2,2,2-trifluoroacetyl)oxyamino]hexanoate
CID 101202818
2,5-Dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate
CID 4378573
1-[(Hexylcarbamoyl)oxy]pyrrolidine-2,5-dione
CID 13111904
(2,5-Dioxopyrrolidin-1-yl) 2,6-bis(methylamino)hexanoate
CID 18339260
(2,5-Dioxopyrrolidin-1-yl) 3-(dodecanoylamino)propanoate
CID 18419952

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate (CID 22950254) is (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate is CC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate?
The InChIKey is KVPZOOONPHNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-9(15)13-8-4-2-3-5-12(18)19-14-10(16)6-7-11(14)17/h2-8H2,1H3,(H,13,15).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate has a molecular weight of 270.28 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-acetamidohexanoate is sourced from PubChem (CID 22950254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).