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40916-97-0 molecular structure
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ethyl (2R)-2-amino-2-methylbutanoate

ChemBase ID: 810720
Molecular Formular: C7H15NO2
Molecular Mass: 145.1995
Monoisotopic Mass: 145.11027873
SMILES and InChIs

SMILES:
C(=O)([C@](CC)(C)N)OCC
Canonical SMILES:
CCOC(=O)[C@@](CC)(N)C
InChI:
InChI=1S/C7H15NO2/c1-4-7(3,8)6(9)10-5-2/h4-5,8H2,1-3H3/t7-/m1/s1
InChIKey:
YZZNKFDTPRWHHB-SSDOTTSWSA-N

Cite this record

CBID:810720 http://www.chembase.cn/molecule-810720.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl (2R)-2-amino-2-methylbutanoate
IUPAC Traditional name
ethyl (2R)-2-amino-2-methylbutanoate
Synonyms
ETHYL (R)-2-AMINO-2-METHYLBUTYRATE
CAS Number
40916-97-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29518 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29518 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2294816  LogD (pH = 7.4) 0.42954773 
Log P 0.87927896  Molar Refractivity 39.2523 cm3
Polarizability 15.9186325 Å3 Polar Surface Area 52.32 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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