2,5-Dioxo-1-pyrrolidinyl 3-[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethoxy]propanoate

C15H18N2O8CAS 1433997-01-3354.32 g/mol

Open in Covalent MOL file
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AlkeneAmideEtherLactam

Properties

Molecular formula
C15H18N2O8
Molar mass
354.32 g/mol
Exact mass
354.1063 Da
logP
-1.06Crippen estimate
Polar surface area
119.5 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1433997-01-3
SMILES
O=C(CCOCCOCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIKey
KMEJZQCDHANYJV-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N2O8/c18-11-1-2-12(19)16(11)6-8-24-10-9-23-7-5-15(22)25-17-13(20)3-4-14(17)21/h1-2H,3-10H2

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Names and synonyms

3 names
  • Propanoic acid, 3-[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
  • 2,5-Dioxopyrrolidin-1-yl 3-(2-(2-(2,5-dioxo-2H-pyrrol-1(5H)-yl)ethoxy)ethoxy)propanoate
  • Mal-PEG2-NHS ester

Work with 2,5-Dioxo-1-pyrrolidinyl 3-[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethoxy]propanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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