Home Carboxys 1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1H-1,2,3-triazole-5-carboxylic acid

1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1H-1,2,3-triazole-5-carboxylic acid

CAS No.:
1955524-20-5
Catalog Number:
AG01B5P1
Molecular Formula:
C13H20N4O4
Molecular Weight:
296.3223
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B5P1
Chemical Name:
1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1H-1,2,3-triazole-5-carboxylic acid
CAS Number:
1955524-20-5
Molecular Formula:
C13H20N4O4
Molecular Weight:
296.3223
MDL Number:
MFCD30181173
IUPAC Name:
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
InChI:
InChI=1S/C13H20N4O4/c1-13(2,3)21-12(20)16-6-4-9(5-7-16)17-10(11(18)19)8-14-15-17/h8-9H,4-7H2,1-3H3,(H,18,19)
InChI Key:
KEDGYVRGIALRAA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1nncc1C(=O)O)OC(C)(C)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.148g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.327g/mol
Monoisotopic Mass:
296.148g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties