chempirical

N-Succinimidyl 3-(4-hydroxyphenyl)propionate

C13H13NO5CAS 34071-95-9263.25 g/mol

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OOHONOO
AmideLactamPhenol

Properties

Molecular formula
C13H13NO5
Molar mass
263.25 g/mol
Exact mass
263.0794 Da
logP
0.93Crippen estimate
Polar surface area
83.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
34071-95-9
SMILES
O=C(CCc1ccc(O)cc1)ON1C(=O)CCC1=O
InChIKey
KYRUKRFVOACELK-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO5/c15-10-4-1-9(2-5-10)3-8-13(18)19-14-11(16)6-7-12(14)17/h1-2,4-5,15H,3,6-8H2

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Names and synonyms

6 names
  • Benzenepropanoic acid, 4-hydroxy-, 2,5-dioxo-1-pyrrolidinyl ester
  • 2,5-Pyrrolidinedione, 1-[3-(4-hydroxyphenyl)-1-oxopropoxy]-
  • Succinimide, N-[(p-hydroxyhydrocinnamoyl)oxy]-
  • 3-(4-Hydroxyphenyl)propionic acid N-hydroxysuccinimide ester
  • NSC 240876
  • 2,5-Dioxopyrrolidin-1-yl 3-(4-hydroxyphenyl)propanoate

Work with N-Succinimidyl 3-(4-hydroxyphenyl)propionate

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

Similar compounds

Disuccinimidyl glutarate79642-50-552 % similar Phloretic acid501-97-349 % similar Disuccinimidyl suberate68528-80-349 % similar Raspberry ketone5471-51-247 % similar (Dimethylcarbamoyl)methyl 2-(4-hydroxyphenyl)acetate59721-16-347 % similar Bis-pe21- nhs ester1008402-79-646 % similar 3,3′-Dithiobis(succinimidyl propionate)57757-57-046 % similar Methyl (4-hydroxyphenyl)acetate14199-15-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-F]indolizine-3,6,10(4H)-trione110351-94-5 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-4 γ-Benzyl L-glutamate N-carboxyanhydride3190-71-4 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-0

Elsewhere

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