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29738-09-8 molecular structure
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(2R)-2-amino-2-phenylpropanoic acid

ChemBase ID: 809276
Molecular Formular: C9H11NO2
Molecular Mass: 165.18914
Monoisotopic Mass: 165.0789786
SMILES and InChIs

SMILES:
C(=O)([C@@](C)(c1ccccc1)N)O
Canonical SMILES:
OC(=O)[C@@](c1ccccc1)(N)C
InChI:
InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m1/s1
InChIKey:
HTCSFFGLRQDZDE-SECBINFHSA-N

Cite this record

CBID:809276 http://www.chembase.cn/molecule-809276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-2-phenylpropanoic acid
IUPAC Traditional name
(2R)-2-amino-2-phenylpropanoic acid
Synonyms
(2R)-2-AMINO-2-PHENYLPROPANOIC ACID
CAS Number
29738-09-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O27568 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O27568 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.275407  H Acceptors
H Donor LogD (pH = 5.5) -1.0400121 
LogD (pH = 7.4) -1.0480102  Log P -1.0400938 
Molar Refractivity 45.0746 cm3 Polarizability 17.883099 Å3
Polar Surface Area 63.32 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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