Biotinylamidoethylacetamide

C₁₂H₂₂N₄O₂SCAS 111790-37-5286.39 g/mol

Open in Covalent MOL file

Amide Primary amine Sulfide Urea

Properties

Molecular formula: C₁₂H₂₂N₄O₂S
Molar mass: 286.39 g/mol
Exact mass: 286.1463 Da
logP: -0.21Crippen estimate
Polar surface area: 96.3 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 7
Stereocentres: R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

111790-37-5

SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCN)NC(=O)N2

InChIKey

BNCJEZWKLUBUBB-QXEWZRGKSA-N

InChI

InChI=1S/C12H22N4O2S/c13-5-6-14-10(17)4-2-1-3-9-11-8(7-19-9)15-12(18)16-11/h8-9,11H,1-7,13H2,(H,14,17)(H2,15,16,18)/t8-,9-,11-/m0/s1

Weigh it out

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

Work with Biotinylamidoethylacetamide

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

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

Elsewhere

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