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

C₇H₁₂N₂O₂CAS 143673-66-9156.19 g/mol

Open in Covalent MOL file

Amide Lactam

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: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

143673-66-9

SMILES

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

InChIKey

IULFBTHVPRNQCG-ZCFIWIBFSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(3R)-3-(Propan-2-yl)piperazine-2,5-dione

Work with (R)-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.

(S)-3-Isopropyl-2,5-piperazinedione16944-60-8Enantiomer

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

PubChem CAS Common Chemistry NIST WebBook