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60298-18-2 molecular structure
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ethyl 5-oxopyrrolidine-3-carboxylate

ChemBase ID: 293728
Molecular Formular: C7H11NO3
Molecular Mass: 157.16714
Monoisotopic Mass: 157.07389322
SMILES and InChIs

SMILES:
O=C(C1CC(=O)NC1)OCC
Canonical SMILES:
CCOC(=O)C1CNC(=O)C1
InChI:
InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKey:
QWMPXTNXXREMCK-UHFFFAOYSA-N

Cite this record

CBID:293728 http://www.chembase.cn/molecule-293728.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-oxopyrrolidine-3-carboxylate
IUPAC Traditional name
ethyl 5-oxopyrrolidine-3-carboxylate
Synonyms
Ethyl 5-oxopyrrolidine-3-carboxylate
5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CAS Number
60298-18-2
MDL Number
MFCD08274999
PubChem SID
180679259
PubChem CID
44890818

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44890818 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.25334  H Acceptors
H Donor LogD (pH = 5.5) -0.6982553 
LogD (pH = 7.4) -0.69825536  Log P -0.6982553 
Molar Refractivity 37.8615 cm3 Polarizability 14.95568 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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