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1011479-76-7,MFCD18374994
Catalog No.:AA0003R8
1011479-76-7 | Azetidine-1,3,3-tricarboxylic acid 1-tert-butyl ester 3-ethyl ester
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  • Technical Information
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Technical Information
Catalog Number:
AA0003R8
Chemical Name:
Azetidine-1,3,3-tricarboxylic acid 1-tert-butyl ester 3-ethyl ester
CAS Number:
1011479-76-7
Molecular Formula:
C12H18NO6-
Molecular Weight:
272.2744
MDL Number:
MFCD18374994
IUPAC Name:
3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C12H19NO6/c1-5-18-9(16)12(8(14)15)6-13(7-12)10(17)19-11(2,3)4/h5-7H2,1-4H3,(H,14,15)
InChI Key:
RCWFRIPIIZSBEJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CN(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Computed Properties
 
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.121g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.285g/mol
Monoisotopic Mass:
273.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
1011479-76-7 
1-(TERT-BUTOXYCARBONYL)-3-(ETHOXYCARBONYL)AZETIDINE-3-CARBOXYLIC ACID 
ZINC72267040 
AKOS017342948 
KS-000008D2 
AK170534 
AS-34910 
OR317241 
CS-0052700 
C-8558 
Azetidine-1,3,3-tricarboxylicacid1-tert-butylester3-ethylester 
1-tert-Butoxycarbonyl-3-ethoxycarbonyl-azetidine-3-carboxylic acid 
AZETIDINE-1,3,3-TRICARBOXYLIC ACID 1-TERT-BUTYL ESTER 3-ETHYL ESTER 
1-(tert-Butoxycarbonyl);-3-(ethoxycarbonyl);azetidine-3-carboxylic acid 
1,3,3-AZETIDINETRICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) 3-ETHYL ESTER 
1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)azetidine-3-carboxylic acid 
SCHEMBL425879 
DTXSID70725571 
RCWFRIPIIZSBEJ-UHFFFAOYSA-N 
BBL102486 
MFCD18374994 
STL556289 
Literature
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