chempirical

4-Maleimidobutyric acid

C8H9NO4CAS 57078-98-5183.16 g/mol

Open in Covalent MOL file
OHONOO
AlkeneAmideCarboxylic acidLactam

Properties

Molecular formula
C8H9NO4
Molar mass
183.16 g/mol
Exact mass
183.0532 Da
Melting point
93–94 °C
logP
-0.22Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
57078-98-5
SMILES
O=C(O)CCCN1C(=O)C=CC1=O
InChIKey
NCPQROHLJFARLL-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4H,1-2,5H2,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Pyrrole-1-butanoic acid, 2,5-dihydro-2,5-dioxo-
  • 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-butanoic acid
  • γ-Maleimidobutyric acid
  • ω-Maleimidobutyric acid
  • N-(3-Carboxypropyl)maleimide
  • 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid
  • 4-Maleimidobutanoic acid

Work with 4-Maleimidobutyric acid

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

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-pentanoic acid57078-99-689 % similar 6-Maleimidocaproic acid55750-53-386 % similar 11-Maleimidoundecanoic acid57079-01-386 % similar 3-Maleimidopropionic acid7423-55-478 % similar 1,6-Bismaleimidohexane4856-87-559 % similar 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-acetic acid25021-08-359 % similar Glutaric acid110-94-150 % similar 4-Phthalimidobutyric acid3130-75-449 % similar

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

Same formula

2-(4-Nitrophenoxy)ethanol16365-27-8 2,4-Dimethoxy-1-nitrobenzene4920-84-7 1,2-Dimethoxy-4-nitrobenzene709-09-1 1,4-Dimethoxy-2-nitrobenzene89-39-4

Elsewhere

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