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

2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1H-imidazole-4-carboxylic acid

CAS No.:
1713463-39-8
Catalog Number:
AG01BTY2
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BTY2
Chemical Name:
2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1H-imidazole-4-carboxylic acid
CAS Number:
1713463-39-8
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
MDL Number:
MFCD20924740
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-6-4-9(5-7-17)11-15-8-10(16-11)12(18)19/h8-9H,4-7H2,1-3H3,(H,15,16)(H,18,19)
InChI Key:
LDTHIAWKRSRWCI-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1[nH]cc(n1)C(=O)O)OC(C)(C)C
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.339g/mol
Monoisotopic Mass:
295.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties