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Home Carboxes 1005738-45-3
1005738-45-3,MFCD20923522
Catalog No.:AA0002A5
1005738-45-3 | Piperidine-1,4,4-tricarboxylic acid 1-tert-butyl ester 4-methyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$201.00   $141.00
- +
1g
97%
in stock  
$272.00   $191.00
- +
5g
97%
in stock  
$815.00   $571.00
- +
10g
97%
in stock  
$1,358.00   $951.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002A5
Chemical Name:
Piperidine-1,4,4-tricarboxylic acid 1-tert-butyl ester 4-methyl ester
CAS Number:
1005738-45-3
Molecular Formula:
C13H20NO6-
Molecular Weight:
286.3010
MDL Number:
MFCD20923522
IUPAC Name:
4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H21NO6/c1-12(2,3)20-11(18)14-7-5-13(6-8-14,9(15)16)10(17)19-4/h5-8H2,1-4H3,(H,15,16)
InChI Key:
MFPPLBPVSINTPM-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Computed Properties
 
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.137g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.312g/mol
Monoisotopic Mass:
287.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
1005738-45-3 
1-(tert-butoxycarbonyl)-4-(methoxycarbonyl)piperidine-4-carboxylic acid 
AKOS025290359 
SB20846 
AK172583 
AS-34740 
AB0198674 
CS-0052690 
W-1210 
1-tert-Butoxycarbonyl-4-methoxycarbonyl-piperidine-4-carboxylic acid 
4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid 
1-[(tert-butoxy)carbonyl]-4-(methoxycarbonyl)piperidine-4-carboxylic acid 
1-Boc-4-(methoxycarbonyl)piperidine-4-carboxylic acid 
Piperidine-1,4,4-tricarboxylic acid 1-tert-butyl ester 4-methyl ester 
SCHEMBL4295757 
MFPPLBPVSINTPM-UHFFFAOYSA-N 
KS-000007LS 
MFCD20923522 
ZINC96035847 
Literature
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