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

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

CAS No.:
2092090-14-5
Catalog Number:
AG01B6KQ
Molecular Formula:
C11H16N4O4
Molecular Weight:
268.2691
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Product Description
Catalog Number:
AG01B6KQ
Chemical Name:
1-{1-[(tert-butoxy)carbonyl]azetidin-3-yl}-1H-1,2,3-triazole-5-carboxylic acid
CAS Number:
2092090-14-5
Molecular Formula:
C11H16N4O4
Molecular Weight:
268.2691
MDL Number:
MFCD30749921
IUPAC Name:
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]triazole-4-carboxylic acid
InChI:
InChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-5-7(6-14)15-8(9(16)17)4-12-13-15/h4,7H,5-6H2,1-3H3,(H,16,17)
InChI Key:
YWRWWZSDSYJNMZ-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)n1nncc1C(=O)O)OC(C)(C)C
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.117g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.273g/mol
Monoisotopic Mass:
268.117g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties