3-[(4-hydroxy-3-nitrophenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione

AlkaPlorer ID: AK325243

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C1[C@@H](CC2=CC=C(O)C([N+](=O)[O-])=C2)N=C(O)[C@@H]2CCCN12

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InChI: InChI=1S/C14H15N3O5/c18-12-4-3-8(7-11(12)17(21)22)6-9-14(20)16-5-1-2-10(16)13(19)15-9/h3-4,7,9-10,18H,1-2,5-6H2,(H,15,19)/t9-,10+/m1/s1

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InChIKey: ITINUQXUQFAVER-ZJUUUORDSA-N

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Reference

NPASS: NPC67932

Properties Information

Molecule Weight: 305.29000000000013

TPSA: 116.27

MolLogP: 1.1726

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information