Molecule

2,5-dihydrophenyl-L-alanine

AlkaPlorer ID: AK038325

Synonym: '', '2,5-Dihydrophenylalanine', 'Alanine, L-1,4-cyclohexadiene-1-', '(S)-alpha-Amino-1,4-cyclohexadiene-1-propanoic acid', 'DL-2,5-Dihydrophenylalanine', 'L-3-(2,5-Cyclohexadienyl)alanine', 'L-2,5-Dihydrophenylalanine'

IUPAC Name: (2S)-2-amino-3-cyclohexa-1,4-dien-1-ylpropanoic acid

Structure

SMILES: N[C@@H](CC1=CCC=CC1)C(=O)O

InChI: InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5,8H,3-4,6,10H2,(H,11,12)/t8-/m0/s1

InChIKey: FSZMHEMPLAVBQZ-QMMMGPOBSA-N

Reference

L-1, 4-CYCL0HEXADIENE-1-ALANINE, AN ANTAGONIST OF PHENYLALANINE, FROM STREPTOMYCES

PubChem CID: 441444

CAS: 16055-12-2

LOTUS: LTS0022267

SuperNatural Ⅲ: SN0094756-02

NPASS: NPC60424

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Euphorbia x bothae	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Siphocampylus westinianus	Siphocampylus	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces coerulescens	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Jurinea cyanoides	Jurinea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Baccharis boliviensis	Baccharis	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 167.20799999999997

TPSA？: 63.32000000000001

MolLogP？: 1.0648

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	ADMET	Stability	nan	%	10.1021/jm00198a011
None	Unchecked	Ki	230000.0	nM	10.1021/acs.jmedchem.5b00326