1.0 2026-09-22 19:09:50 UTC 2026-09-22 19:09:50 UTC FDB118735 orb1992020 (3S,8aS)-3-[(1S)-1-methylpropyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione C11H18N2O2 210.277 210.136827828 (3S,8aS)-3-[(2S)-butan-2-yl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione (3S,8aS)-3-[(2S)-butan-2-yl]-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O InChI=1S/C11H18N2O2/c1-3-7(2)9-11(15)13-6-4-5-8(13)10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9-/m0/s1 ZDACRNZBFJOLTC-CIUDSAMLSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteropolycyclic compounds 2,5-dioxopiperazines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Lactams N-alkylpiperazines Organic oxides Organonitrogen compounds Pyrrolidines Secondary carboxylic acid amides Tertiary carboxylic acid amides 1,4-diazinane 2,5-dioxopiperazine Aliphatic heteropolycyclic compound Alpha-amino acid or derivatives Azacycle Carbonyl group Carboxamide group Dioxopiperazine Hydrocarbon derivative Lactam N-alkylpiperazine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Piperazine Pyrrolidine Secondary carboxylic acid amide Tertiary carboxylic acid amide logp 0.28 ALOGPS logs -0.60 ALOGPS solubility 5.28e+01 g/l ALOGPS logp 0.53 ChemAxon pka_strongest_acidic 11.43 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (3S,8aS)-3-[(2S)-butan-2-yl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione ChemAxon average_mass 210.277 ChemAxon mono_mass 210.136827828 ChemAxon smiles CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C1=O ChemAxon formula C11H18N2O2 ChemAxon inchi InChI=1S/C11H18N2O2/c1-3-7(2)9-11(15)13-6-4-5-8(13)10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9-/m0/s1 ChemAxon inchikey ZDACRNZBFJOLTC-CIUDSAMLSA-N ChemAxon polar_surface_area 49.41 ChemAxon refractivity 55.88 ChemAxon polarizability 22.83 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1330345 Specdb::MsMs 1330346 Specdb::MsMs 1330347 Specdb::MsMs 1444633 Specdb::MsMs 1444634 Specdb::MsMs 1444635