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709-16-0 molecular structure
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(2S)-2-amino-3-(2-hydroxyphenyl)propanoic acid

ChemBase ID: 813505
Molecular Formular: C9H11NO3
Molecular Mass: 181.18854
Monoisotopic Mass: 181.07389322
SMILES and InChIs

SMILES:
N[C@@H](Cc1c(cccc1)O)C(=O)O
Canonical SMILES:
OC(=O)[C@H](Cc1ccccc1O)N
InChI:
InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)/t7-/m0/s1
InChIKey:
WRFPVMFCRNYQNR-ZETCQYMHSA-N

Cite this record

CBID:813505 http://www.chembase.cn/molecule-813505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-3-(2-hydroxyphenyl)propanoic acid
IUPAC Traditional name
2-hydroxyphenylalanine
Synonyms
2-HYDROXY-L-PHENYLALANINE
CAS Number
709-16-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35181 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35181 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0057738  H Acceptors
H Donor LogD (pH = 5.5) -1.4882036 
LogD (pH = 7.4) -1.501613  Log P -1.4883343 
Molar Refractivity 47.0972 cm3 Polarizability 18.512674 Å3
Polar Surface Area 83.55 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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