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

C16H23N3O7 — CID 158606220

IUPAC(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane
SMILESCC.CC(=O)ON1C(=O)CCC1=O.CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3.C6H7NO4.C2H6/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;1-2/h2-3H,4-5H2,1H3,(H,9,11);2-3H2,1H3;1-2H3
InChIKeyHWGKVDUYLJEATE-UHFFFAOYSA-N
MW369.37 g/mol
LogP-0.31
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane (PubChem CID 158606220) has the molecular formula C16H23N3O7 and a molecular weight of 369.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane
PubChem CID158606220
Molecular FormulaC16H23N3O7
Molecular Weight369.37 g/mol
Exact Mass369.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane
SMILESCC.CC(=O)ON1C(=O)CCC1=O.CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3.C6H7NO4.C2H6/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;1-2/h2-3H,4-5H2,1H3,(H,9,11);2-3H2,1H3;1-2H3
InChIKeyHWGKVDUYLJEATE-UHFFFAOYSA-N
XLogP-0.31
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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 N-acryloyl-beta-alaninate
CID 15576771
(2,5-Dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 23166843
6-[N-(6-Maleimidocaproyl)]caproic acid nhs
CID 56650501
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
N-[5-(2,5-dioxopyrrolidin-1-yl)oxypent-4-enyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 68354172
(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(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;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane (CID 158606220) is (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane is CC.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;ethane?
The InChIKey is HWGKVDUYLJEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.C6H7NO4.C2H6/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;1-2/h2-3H,4-5H2,1H3,(H,9,11);2-3H2,1H3;1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane?
(2,5-dioxopyrrolidin-1-yl) acetate;3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide;ethane has a molecular weight of 369.37 g/mol, XLogP of -0.31, 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;ethane is sourced from PubChem (CID 158606220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).