(S)-3-(3,6-Dioxopiperazin-2-yl)propanamide

C₇H₁₁N₃O₃CAS 52662-00-7185.18 g/mol

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Properties

Molecular formula: C₇H₁₁N₃O₃
Molar mass: 185.18 g/mol
Exact mass: 185.0800 Da
logP: -2.13Crippen estimate
Polar surface area: 101.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

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

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Identifiers

CAS number

52662-00-7

SMILES

C1C(=O)N[C@H](C(=O)N1)CCC(=O)N

InChIKey

PWADXPITHGKDSY-BYPYZUCNSA-N

InChI

InChI=1S/C7H11N3O3/c8-5(11)2-1-4-7(13)9-3-6(12)10-4/h4H,1-3H2,(H2,8,11)(H,9,13)(H,10,12)/t4-/m0/s1

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Names and synonyms

1 names

Cyclo(-gly-gln)

Work with (S)-3-(3,6-Dioxopiperazin-2-yl)propanamide

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

Same formula

Secnidazole3366-95-8

Elsewhere

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