Home > Compound List > Compound details
143282-41-1 molecular structure
click picture or here to close

ethyl (2Z)-3-amino-2-methylbut-2-enoate

ChemBase ID: 160271
Molecular Formular: C7H13NO2
Molecular Mass: 143.18362
Monoisotopic Mass: 143.09462866
SMILES and InChIs

SMILES:
C(=C(\C)/N)(/C(=O)OCC)\C
Canonical SMILES:
CCOC(=O)/C(=C(\N)/C)/C
InChI:
InChI=1S/C7H13NO2/c1-4-10-7(9)5(2)6(3)8/h4,8H2,1-3H3/b6-5-
InChIKey:
AHHWYDQKFSHGNI-WAYWQWQTSA-N

Cite this record

CBID:160271 http://www.chembase.cn/molecule-160271.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl (2Z)-3-amino-2-methylbut-2-enoate
IUPAC Traditional name
ethyl (2Z)-3-amino-2-methylbut-2-enoate
Synonyms
(+)-2-Methyl-D-aspartic Acid Hydrochloride
(S)-α-Methylaspartic Acid Hydrochloride
(S)-α-Methyl-D-aspartic Acid Hydrochloride
(S)-(+)-2-Amino-2-methylbutanedioic Acid Hydrochloride Salt
CAS Number
143282-41-1
PubChem SID
162254406
PubChem CID
53642952

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A615265 external link Add to cart
PubChem 53642952 external link
Data Source Data ID Price
TRC
A615265 external link Add to cart Please log in.
Data Source Data ID
PubChem 53642952 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.48253134  LogD (pH = 7.4) 0.50893193 
Log P 0.50927913  Molar Refractivity 40.6205 cm3
Polarizability 15.291478 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
183-186°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle