Aspartyl-alanyl-diketopiperazine
2-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]acetic acid
Molecular Identity
Aspartyl-alanyl-diketopiperazine
2-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]acetic acid
PubChem CID: 9815453
2D Structure
Properties
C7H10N2O4
Molecular Formula
186.17
Molecular Weight
g/mol
186.0641
Exact Mass
Da
-1.4
XLogP
Drug-like (Lipinski: < 5)
95.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
263
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(=O)NC(C(=O)N1)CC(=O)OIsomeric SMILES
SMILES: C[C@H]1C(=O)N[C@H](C(=O)N1)CC(=O)OSynonyms(20)
aspartyl-alanyl-diketopiperazine110954-19-3Ampion2-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)acetic acidDA-DKPR9CHM391D52-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]acetic acidDMI9523DMI-95232-Piperazineacetic acid, 5-methyl-3,6-dioxo-, (2S,5S)-Dmi 9523RefChem:114693AP013(2S,5S)-5-methyl-3,6-dioxo-2-piperazineacetic acidUNII-R9CHM391D5
Data from PubChem (NCBI)
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Drug Network
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