(S)-3-Isopropyl-2,5-piperazinedione

C₇H₁₂N₂O₂CAS 16944-60-8156.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂N₂O₂
Molar mass: 156.19 g/mol
Exact mass: 156.0899 Da
logP: -0.74Crippen estimate
Polar surface area: 58.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: 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

16944-60-8

SMILES

CC(C)[C@H]1C(=O)NCC(=O)N1

InChIKey

IULFBTHVPRNQCG-LURJTMIESA-N

InChI

InChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)/t6-/m0/s1

Weigh it out

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

Work with (S)-3-Isopropyl-2,5-piperazinedione

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-3-Isopropyl-2,5-piperazinedione143673-66-9Enantiomer

Similar compounds

Glycyl-glycyl-valine20274-89-951 % similar Segetalin B164991-89-343 % similar Gly-D-val10521-49-042 % similar (S)-3-(3,6-Dioxopiperazin-2-yl)propanamide52662-00-742 % similar Palmitoyl hexapeptide-12171263-26-640 % similar Glycylglycyl-L-isoleucine69242-40-637 % similar Leu-val13588-95-934 % similar Pepstatin26305-03-334 % similar

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

Same formula

N-Acetylprolinamide16395-58-7

Elsewhere

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