Molecule

3-[(2S)-2-amino-2-carboxyethyl]benzoic acid

AlkaPlorer ID: AK164110

Synonym: None

IUPAC Name: 3-[(2S)-2-amino-2-carboxyethyl]benzoic acid

SMILES: N[C@@H](CC1=CC(C(=O)O)=CC=C1)C(=O)O

InChI: InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m0/s1

InChIKey: JANONUPBHGWOBP-QMMMGPOBSA-N

PubChem CID: 22854522

LOTUS: LTS0173936

SuperNatural Ⅲ: SN0160253-02

NPASS: NPC235289

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Artemisia borealis	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Haplophyllum acutifolium	Haplophyllum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Caylusea abyssinica	Caylusea	Resedaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heracleum dissectum	Heracleum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Turraea wakefieldii	Turraea	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thryptomene saxicola	Thryptomene	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 209.201

TPSA？: 100.62000000000002

MolLogP？: 0.3391999999999996

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	L-type amino acid transporter 1	Activity	56.0	%	10.1021/acs.jmedchem.8b01007
Homo sapiens	L-type amino acid transporter 1	IC50	130000.0	nM	10.1021/acs.jmedchem.8b01007
Homo sapiens	L-type amino acid transporter 1	Inhibition	69.0	%	10.1021/acs.jmedchem.8b01007