METHYLDOPATE

Search structure
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2579Z4P04J

Structure
InChI Key SVEBYYWCXTVYCR-LBPRGKRZSA-N
Smile CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
InChI
InChI=1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17NO4
Molecular Weight 239.27
AlogP 0.92
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 92.78
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEBI 94761
ChEMBL CHEMBL1201233
DrugCentral 4218
EPA CompTox DTXSID8048523
FDA SRS 2579Z4P04J
SureChEMBL SCHEMBL297359
ZINC ZINC000053226479
CONTENTS