(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide

C14H17N3O7 — CID 161262417

IUPAC(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
SMILESCC(=O)ON1C(=O)CCC1=O.CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3.C6H7NO4/c1-9-6(11)4-5-10-7(12)2-3-8(10)13;1-4(8)11-7-5(9)2-3-6(7)10/h2-3H,4-5H2,1H3,(H,9,11);2-3H2,1H3
InChIKeyVCSQTVORPYWFAX-UHFFFAOYSA-N
MW339.30 g/mol
LogP-1.34
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide

(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide (PubChem CID 161262417) has the molecular formula C14H17N3O7 and a molecular weight of 339.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
PubChem CID161262417
Molecular FormulaC14H17N3O7
Molecular Weight339.30 g/mol
Exact Mass339.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
SMILESCC(=O)ON1C(=O)CCC1=O.CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3.C6H7NO4/c1-9-6(11)4-5-10-7(12)2-3-8(10)13;1-4(8)11-7-5(9)2-3-6(7)10/h2-3H,4-5H2,1H3,(H,9,11);2-3H2,1H3
InChIKeyVCSQTVORPYWFAX-UHFFFAOYSA-N
XLogP-1.34
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide 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

2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 4620597
N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
poly(N-isopropylacrylamide-N-n-butylacrylamide-N-acryloxysuccinimide)
CID 3082923
Nipam nas
CID 131730183
(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
CID 11161120
2,5-Dioxopyrrolidin-1-yl N-acryloyl-beta-alaninate
CID 15576771
(2,5-Dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 23166843
N-[4-(2,5-dioxopyrrolidin-1-yl)-4-oxobutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 57552398
Mal-GGG-Bal-NHS ester
CID 57945503
(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
Acetonitrile;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 87930241
(2,5-Dioxopyrrolidin-1-yl) 3-(1-oxido-2,5-dioxopyrrol-1-ium-1-yl)propanoate
CID 88195469

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide (CID 161262417) is (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide is CC(=O)ON1C(=O)CCC1=O.CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide?
The InChIKey is VCSQTVORPYWFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.C6H7NO4/c1-9-6(11)4-5-10-7(12)2-3-8(10)13;1-4(8)11-7-5(9)2-3-6(7)10/h2-3H,4-5H2,1H3,(H,9,11);2-3H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide?
(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide has a molecular weight of 339.30 g/mol, XLogP of -1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 161262417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).