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

1-(4-{[(tert-butoxy)carbonyl]amino}butyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
1909347-70-1
Catalog Number:
AG01C1MT
Molecular Formula:
C12H20N4O4
Molecular Weight:
284.3116
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Product Description
Catalog Number:
AG01C1MT
Chemical Name:
1-(4-{[(tert-butoxy)carbonyl]amino}butyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1909347-70-1
Molecular Formula:
C12H20N4O4
Molecular Weight:
284.3116
MDL Number:
MFCD29054881
IUPAC Name:
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]triazole-4-carboxylic acid
InChI:
InChI=1S/C12H20N4O4/c1-12(2,3)20-11(19)13-6-4-5-7-16-8-9(10(17)18)14-15-16/h8H,4-7H2,1-3H3,(H,13,19)(H,17,18)
InChI Key:
YQJKVMUVYUUSGV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCCn1nnc(c1)C(=O)O
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.148g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.316g/mol
Monoisotopic Mass:
284.148g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties