(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane

C14H28N2O4 — CID 178100536

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
SMILESCC.CC.CN(C)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O4.2C2H6/c1-11(2)7-3-4-10(15)16-12-8(13)5-6-9(12)14;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyQLAWKOLEXMKZQJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane

(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane (PubChem CID 178100536) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
PubChem CID178100536
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
SMILESCC.CC.CN(C)CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O4.2C2H6/c1-11(2)7-3-4-10(15)16-12-8(13)5-6-9(12)14;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyQLAWKOLEXMKZQJ-UHFFFAOYSA-N
XLogP1.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate
CID 11379944
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 6-[[(E)-but-2-en-2-yl]-methylamino]hexanoate
CID 146671025
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane (CID 178100536) is (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane is CC.CC.CN(C)CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane?
The InChIKey is QLAWKOLEXMKZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4.2C2H6/c1-11(2)7-3-4-10(15)16-12-8(13)5-6-9(12)14;2*1-2/h3-7H2,1-2H3;2*1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane?
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane has a molecular weight of 288.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane is sourced from PubChem (CID 178100536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).