Home > Compound List > Compound details
2799-15-7 molecular structure
click picture or here to close

(2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid

ChemBase ID: 173606
Molecular Formular: C10H13NO4
Molecular Mass: 211.21452
Monoisotopic Mass: 211.0844579
SMILES and InChIs

SMILES:
c1c(c(ccc1C[C@](N)(C)C(=O)O)O)O
Canonical SMILES:
OC(=O)[C@@](Cc1ccc(c(c1)O)O)(N)C
InChI:
InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m1/s1
InChIKey:
CJCSPKMFHVPWAR-SNVBAGLBSA-N

Cite this record

CBID:173606 http://www.chembase.cn/molecule-173606.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
IUPAC Traditional name
(-)-methyldopa
Synonyms
3-Hydroxy-α-methyl-D-tyrosine
D-3-(3,4-Dihydroxyphenyl)-2-methylalanine
(+)-α-Methyldopa
D-(3,4-Dihydroxyphenyl)-2-methylalanine
D-Methyldopa
D-α-Methyl DOPA
CAS Number
2799-15-7
PubChem SID
164229516
PubChem CID
721860

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M303790 external link Add to cart
PubChem 721860 external link
Data Source Data ID Price
TRC
M303790 external link Add to cart Please log in.
Data Source Data ID
PubChem 721860 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7286927  H Acceptors
H Donor LogD (pH = 5.5) -1.3594157 
LogD (pH = 7.4) -1.3670306  Log P -1.3594803 
Molar Refractivity 53.7914 cm3 Polarizability 20.989363 Å3
Polar Surface Area 103.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
>250°C (dec.) expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M303790 external link
Antihypertensive agent.Product reacts with methanol to form methyl ester very fast.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Beckett, et al.: J. Pharm. Pharmacol., 7, 433 (1955)
  • • Sletzinger, et al.: J. Med. Chem., 6, 101 (1955)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle