Home Carboxys trans-1-[(tert-butoxy)carbonyl]-5-(methoxycarbonyl)piperidine-3-carboxylic acid

trans-1-[(tert-butoxy)carbonyl]-5-(methoxycarbonyl)piperidine-3-carboxylic acid

CAS No.:
914261-00-0
Catalog Number:
AG00ILBZ
Molecular Formula:
C13H21NO6
Molecular Weight:
287.3089
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Product Description
Catalog Number:
AG00ILBZ
Chemical Name:
trans-1-[(tert-butoxy)carbonyl]-5-(methoxycarbonyl)piperidine-3-carboxylic acid
CAS Number:
914261-00-0
Molecular Formula:
C13H21NO6
Molecular Weight:
287.3089
IUPAC Name:
(3R,5R)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-6-8(10(15)16)5-9(7-14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9-/m1/s1
InChI Key:
DYLHJFCOKNLATM-RKDXNWHRSA-N
SMILES:
COC(=O)[C@H]1C[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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:
0.6  
Properties