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name Structure Reference Source Properties Activities Metabolism

(2R,4S)-2-amino-4-methylpentanedioic acid

AlkaPlorer ID: AK103875

Synonym: None

IUPAC Name: (2R,4S)-2-amino-4-methylpentanedioic acid

Structure

SMILES: C[C@@H](C[C@@H](N)C(=O)O)C(=O)O

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InChI: InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m0/s1

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InChIKey: KRKRAOXTGDJWNI-IUYQGCFVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 161.15699999999998

TPSA？: 100.62000000000002

MolLogP？: -0.490899999999999

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 IC50 7000.0 nM 10.1021/jm00014a002
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 IC50 100000.0 nM 10.1021/jm00014a002
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 82.0 nM 10.1021/jm00014a002
Rattus norvegicus Metabotropic glutamate receptor 4 EC50 100000.0 nM 10.1021/jm049092j

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT003612 CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)O.C[C@@H](C[C@@H](N)C(=O)O)C(=O)O>>CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C[C@H](C)C(=O)O)C(=O)O enzymemap_91052