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1001353-86-1,MFCD11501346
Catalog No.:AA0000Z4
1001353-86-1 | 1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
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250mg
97%
1 week  
$174.00
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1g
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$374.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000Z4
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS Number:
1001353-86-1
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
MDL Number:
MFCD11501346
IUPAC Name:
1-O-tert-butyl 2-O-ethyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C14H25NO4/c1-7-18-11(16)10-8-14(5,6)9-15(10)12(17)19-13(2,3)4/h10H,7-9H2,1-6H3/t10-/m0/s1
InChI Key:
ZWNSAGPRRVZFDV-JTQLQIEISA-N
SMILES:
CCOC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
271.178g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.178g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
1001353-86-1 
ETHYL 1-BOC-4,4-DIMETHYL-L-PROLINATE 
MFCD11501346 
ZINC44138263 
AKOS016024018 
AS-37764 
AB0076354 
AJ-109421 
AX8209268 
A-2208 
1-(tert-butyl) 2-ethyl (S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate 
1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)- 
(S)-1-tert-Butyl 2-ethyl 4,4-dimethylpyrrolidine-1,2-dicarboxylate 
C14H25NO4 
ACN-044657 
(S)-1-Boc-4,4-dimethyl-pyrrolidine-2-carboxylic acid ethyl ester 
(S)-4,4-Dimethyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester 
1-tert-Butyl 2-ethyl (2S)-4,4-dimethylpyrrolidine-1,2-dicarboxylate 
SCHEMBL1269177 
DTXSID80705288 
ZWNSAGPRRVZFDV-JTQLQIEISA-N 
4010AJ 
Literature
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