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91248-17-8 molecular structure
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rac-(2R)-2-amino-3-(2,4-dimethoxyphenyl)propanoic acid

ChemBase ID: 809359
Molecular Formular: C11H15NO4
Molecular Mass: 225.2411
Monoisotopic Mass: 225.10010797
SMILES and InChIs

SMILES:
N[C@@H](Cc1c(cc(cc1)OC)OC)C(=O)O
Canonical SMILES:
COc1cc(OC)ccc1C[C@@H](C(=O)O)N
InChI:
InChI=1S/C11H15NO4/c1-15-8-4-3-7(10(6-8)16-2)5-9(12)11(13)14/h3-4,6,9H,5,12H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKey:
FATCEKMZLXXPPE-VIFPVBQESA-N

Cite this record

CBID:809359 http://www.chembase.cn/molecule-809359.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
rac-(2R)-2-amino-3-(2,4-dimethoxyphenyl)propanoic acid
IUPAC Traditional name
rac-(2R)-2-amino-3-(2,4-dimethoxyphenyl)propanoic acid
Synonyms
DL-2,4-DIMETHOXYPHENYLALANINE
CAS Number
91248-17-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O27652 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O27652 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.829074  H Acceptors
H Donor LogD (pH = 5.5) -1.5002426 
LogD (pH = 7.4) -1.5041705  Log P -1.500301 
Molar Refractivity 58.0427 cm3 Polarizability 22.956337 Å3
Polar Surface Area 81.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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