Home > Compound List > Compound details
162104244 molecular structure
click picture or here to close

ethyl 3-(morpholin-4-yl)-3-oxopropanoate

ChemBase ID: 72236
Molecular Formular: C9H15NO4
Molecular Mass: 201.2197
Monoisotopic Mass: 201.10010797
SMILES and InChIs

SMILES:
C(=O)(CC(=O)OCC)N1CCOCC1
Canonical SMILES:
CCOC(=O)CC(=O)N1CCOCC1
InChI:
InChI=1S/C9H15NO4/c1-2-14-9(12)7-8(11)10-3-5-13-6-4-10/h2-7H2,1H3
InChIKey:
VZSROXUCXBXPBM-UHFFFAOYSA-N

Cite this record

CBID:72236 http://www.chembase.cn/molecule-72236.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-(morpholin-4-yl)-3-oxopropanoate
IUPAC Traditional name
ethyl 3-(morpholin-4-yl)-3-oxopropanoate
Synonyms
Ethyl 3-morpholin-4-yl-3-oxopropanoate
PubChem SID
162104244
PubChem CID
2785816

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
077859 external link Add to cart Please log in.
Data Source Data ID
PubChem 2785816 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.620451  H Acceptors
H Donor LogD (pH = 5.5) -0.40650618 
LogD (pH = 7.4) -0.40650645  Log P -0.40650618 
Molar Refractivity 49.1956 cm3 Polarizability 19.348028 Å3
Polar Surface Area 55.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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