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112720-39-5 molecular structure
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(2R)-2-amino-3,3-dimethylbutanoic acid hydrochloride

ChemBase ID: 293760
Molecular Formular: C6H14ClNO2
Molecular Mass: 167.63386
Monoisotopic Mass: 167.07130637
SMILES and InChIs

SMILES:
CC(C)(C)[C@@H](N)C(=O)O.Cl
Canonical SMILES:
N[C@H](C(C)(C)C)C(=O)O.Cl
InChI:
InChI=1S/C6H13NO2.ClH/c1-6(2,3)4(7)5(8)9;/h4H,7H2,1-3H3,(H,8,9);1H/t4-;/m0./s1
InChIKey:
OLMBOHVAVKHHTK-WCCKRBBISA-N

Cite this record

CBID:293760 http://www.chembase.cn/molecule-293760.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3,3-dimethylbutanoic acid hydrochloride
IUPAC Traditional name
(2R)-2-amino-3,3-dimethylbutanoic acid hydrochloride
Synonyms
(R)-2-Amino-3,3-dimethylbutanoic acid hydrochloride
CAS Number
112720-39-5
PubChem SID
180679291
PubChem CID
42609612

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD41187 Please log in.
Data Source Data ID
PubChem 42609612 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7936387  H Acceptors
H Donor LogD (pH = 5.5) -1.5744301 
LogD (pH = 7.4) -1.5785921  Log P -1.5740803 
Molar Refractivity 33.891 cm3 Polarizability 13.835553 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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