2-Amino-3-(3-hydroxyphenyl)propanoic acid; (±)-form

AlkaPlorer ID: AK286019

Synonym: None

IUPAC Name: 2-amino-3-(3-hydroxyphenyl)propanoic acid

Structure

SMILES: NC(CC1=CC=CC(O)=C1)C(=O)O

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InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)

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InChIKey: JZKXXXDKRQWDET-UHFFFAOYSA-N

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Reference

PubChem CID: 44338331

CAS: 2180-37-2

COCONUT: CNP0201266.3

Source

Properties Information

Molecule Weight: 181.191

TPSA: 83.55

MolLogP: 0.3466

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Glutamate receptor ionotropic, AMPA Inhibition 0.0 % 10.1021/jm950028z
None ADMET pKa nan None 10.1021/jm950028z

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017435 NC(Cc1cccc(O)c1)C(=O)O>>NC(Cc1cccc(OS(=O)(=O)O)c1)C(=O)O enzymemap_49922
AKRT022681 O=C(O)C=Cc1cccc(O)c1>>NC(Cc1cccc(O)c1)C(=O)O MNXR131344