Structure

InChI Key OUYCCCASQSFEME-QMMMGPOBSA-N
Smile N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11NO3
Molecular Weight 181.19
AlogP 0.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 83.55
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myopathies, Nemaline 2 D017696 ClinicalTrials
Obesity 1 D009765 ClinicalTrials

Related Entries

Mixture

Cross References

Resources Reference
CAS NUMBER 60-18-4
ChEBI 58315
ChEMBL CHEMBL925
DrugBank DB00135
DrugCentral 2786
EPA CompTox DTXSID1023730
FDA SRS 42HK56048U
Human Metabolome Database HMDB0000158
Guide to Pharmacology 4791
KEGG C00082
PDB TYR
PharmGKB PA451822
PubChem 6057
SureChEMBL SCHEMBL1581
ZINC ZINC000000266964