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721-90-4 molecular structure
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2-[(2S)-2-amino-3-phenylpropanamido]acetic acid

ChemBase ID: 102690
Molecular Formular: C11H14N2O3
Molecular Mass: 222.24046
Monoisotopic Mass: 222.10044232
SMILES and InChIs

SMILES:
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Canonical SMILES:
N[C@H](C(=O)NCC(=O)O)Cc1ccccc1
InChI:
InChI=1S/C11H14N2O3/c12-9(11(16)13-7-10(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKey:
GLUBLISJVJFHQS-VIFPVBQESA-N

Cite this record

CBID:102690 http://www.chembase.cn/molecule-102690.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2S)-2-amino-3-phenylpropanamido]acetic acid
IUPAC Traditional name
[(2S)-2-amino-3-phenylpropanamido]acetic acid
Synonyms
PHE-GLY
L-PHENYLALANYLGLYCINE
CAS Number
721-90-4
PubChem SID
162088497
PubChem CID
6992304

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02102635 external link Add to cart Please log in.
Data Source Data ID
PubChem 6992304 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7090223  H Acceptors
H Donor LogD (pH = 5.5) -2.293347 
LogD (pH = 7.4) -2.3760197  Log P -2.2921264 
Molar Refractivity 57.9198 cm3 Polarizability 22.80492 Å3
Polar Surface Area 92.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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