N-(2-Cyanoethyl)glutamine; (±)-form 

AlkaPlorer ID: AK293388

Synonym: None

IUPAC Name: 2-amino-5-(2-cyanoethylamino)-5-oxopentanoic acid

Structure

SMILES: N#CCCNC(=O)CCC(N)C(=O)O

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InChI: InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)

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InChIKey: VQPVVWAFTIFKDD-UHFFFAOYSA-N

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Reference

PubChem CID: 4658944

COCONUT: CNP0137104.1

Properties Information

Molecule Weight: 199.21

TPSA: 116.21

MolLogP: -0.7916199999999991

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information