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24593-49-5 molecular structure
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(2R)-2-amino-2-(4-methoxyphenyl)acetic acid

ChemBase ID: 809091
Molecular Formular: C9H11NO3
Molecular Mass: 181.18854
Monoisotopic Mass: 181.07389322
SMILES and InChIs

SMILES:
[C@H](C(=O)O)(c1ccc(cc1)OC)N
Canonical SMILES:
COc1ccc(cc1)[C@H](C(=O)O)N
InChI:
InChI=1S/C9H11NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey:
GXUAKXUIILGDKW-MRVPVSSYSA-N

Cite this record

CBID:809091 http://www.chembase.cn/molecule-809091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-2-(4-methoxyphenyl)acetic acid
IUPAC Traditional name
(R)-amino(4-methoxyphenyl)acetic acid
Synonyms
(2R)-2-AMINO-2-(4-METHOXYPHENYL)ACETIC ACID
CAS Number
24593-49-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O27382 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O27382 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 18.578379 Å3 Polar Surface Area 72.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 1.8469644  H Acceptors
H Donor LogD (pH = 5.5) -1.6307771 
LogD (pH = 7.4) -1.6451279  Log P -1.6308222 
Molar Refractivity 46.8245 cm3

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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