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2140-95-6 molecular structure
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(2R)-3-amino-2-methylpropanoic acid

ChemBase ID: 816262
Molecular Formular: C4H9NO2
Molecular Mass: 103.11976
Monoisotopic Mass: 103.06332853
SMILES and InChIs

SMILES:
C(=O)([C@@H](CN)C)O
Canonical SMILES:
C[C@@H](C(=O)O)CN
InChI:
InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey:
QCHPKSFMDHPSNR-GSVOUGTGSA-N

Cite this record

CBID:816262 http://www.chembase.cn/molecule-816262.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-3-amino-2-methylpropanoic acid
IUPAC Traditional name
(R)-β-aminoisobutyric acid
Synonyms
(R)-3-AMINO-2-METHYL-PROPIONIC ACID
CAS Number
2140-95-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O40379 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O40379 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.174954  H Acceptors
H Donor LogD (pH = 5.5) -2.6465561 
LogD (pH = 7.4) -2.6306484  Log P -2.6306787 
Molar Refractivity 25.2773 cm3 Polarizability 10.177998 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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