Home Amines 1008773-73-6
1008773-73-6,MFCD24471201
Catalog No.:AA00030E
1008773-73-6 | (1S,3S)-3-([(tert-Butoxy)carbonyl]amino)cyclohexane-1-carboxylic acid
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1g
95%
in stock  
$555.00   $389.00
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5g
95%
in stock  
$1,746.00   $1,222.00
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Technical Information
Catalog Number:
AA00030E
Chemical Name:
(1S,3S)-3-([(tert-Butoxy)carbonyl]amino)cyclohexane-1-carboxylic acid
CAS Number:
1008773-73-6
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD24471201
IUPAC Name:
(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1
InChI Key:
JSGHMGKJNZTKGF-IUCAKERBSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCC[C@@H](C1)C(=O)O
Properties
Computed Properties
 
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
1008773-73-6 
(1S,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid 
ZINC2510797 
ANW-24611 
MFCD24471201 
AKOS027338377 
SB23152 
AJ-36511 
AS-52469 
DB-007926 
CS-0053560 
Racemic trans 3-tert-butoxycarbonylamino-cyclohexanecarboxylic acid 
(1S,3S)-3-{[(tert-Butoxy)carbonyl]aminocyclohexane-1-carboxylic acid 
Cyclohexanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,3S)- 
Trans-3-tert-butoxycarbonylaminocyclohexanecarboxylic acid 
218772-92-0 
(1R,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid 
1430938-32-1 
trans-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid 
(1S,3S)-3-([(tert-Butoxy)carbonyl]amino)cyclohexane-1-carboxylic acid 
(1S,3S)-3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid 
SCHEMBL2320606 
CTK8B1209 
JSGHMGKJNZTKGF-IUCAKERBSA-N 
KS-000008PP 
Literature
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