2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; (S)-form, N-Ac 

AlkaPlorer ID: AK285149

Synonym: N-Acetyl-3,4-dihydroxyphenylalanine, JS 2 

IUPAC Name: 2-acetamido-3-(3,4-dihydroxyphenyl)propanoic acid

Structure

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

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InChI: InChI=1S/C11H13NO5/c1-6(13)12-8(11(16)17)4-7-2-3-9(14)10(15)5-7/h2-3,5,8,14-15H,4H2,1H3,(H,12,13)(H,16,17)

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InChIKey: RGCLHVKCJVVHLN-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 239.227

TPSA: 110.35

MolLogP: 1.0699

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information