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158602-35-8 molecular structure
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tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

ChemBase ID: 799551
Molecular Formular: C12H21NO4
Molecular Mass: 243.29944
Monoisotopic Mass: 243.14705816
SMILES and InChIs

SMILES:
C1(CN(C1)C(=O)OC(C)(C)C)CC(=O)OCC
Canonical SMILES:
CCOC(=O)CC1CN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey:
HTYZZXUWPRCEIN-UHFFFAOYSA-N

Cite this record

CBID:799551 http://www.chembase.cn/molecule-799551.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
Synonyms
tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
CAS Number
158602-35-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14283 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14283 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) 1.0851018  LogD (pH = 7.4) 1.0851018 
Log P 1.0851018  Molar Refractivity 62.7854 cm3
Polarizability 24.824814 Å3 Polar Surface Area 55.84 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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