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367278-48-6 molecular structure
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(2S)-2-(aminomethyl)-3,3-dimethylbutanoic acid

ChemBase ID: 796146
Molecular Formular: C7H15NO2
Molecular Mass: 145.1995
Monoisotopic Mass: 145.11027873
SMILES and InChIs

SMILES:
C(=O)([C@@H](C(C)(C)C)CN)O
Canonical SMILES:
NC[C@H](C(C)(C)C)C(=O)O
InChI:
InChI=1S/C7H15NO2/c1-7(2,3)5(4-8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKey:
MVGZPYGHSNPXQQ-YFKPBYRVSA-N

Cite this record

CBID:796146 http://www.chembase.cn/molecule-796146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-(aminomethyl)-3,3-dimethylbutanoic acid
IUPAC Traditional name
(2S)-2-(aminomethyl)-3,3-dimethylbutanoic acid
Synonyms
(S)-2-(AMinoMethyl)-3,3-diMethylbutanoic acid
CAS Number
367278-48-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1657 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1657 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.393619  H Acceptors
H Donor LogD (pH = 5.5) -1.625233 
LogD (pH = 7.4) -1.5990943  Log P -1.5993197 
Molar Refractivity 38.902 cm3 Polarizability 15.66981 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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