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

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

CAS No.:
1334491-51-8
Catalog Number:
AG01C4DC
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
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Product Description
Catalog Number:
AG01C4DC
Chemical Name:
1-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1334491-51-8
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
MDL Number:
MFCD20232460
IUPAC Name:
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylic acid
InChI:
InChI=1S/C12H18N4O4/c1-12(2,3)20-11(19)15-5-4-8(6-15)16-7-9(10(17)18)13-14-16/h7-8H,4-6H2,1-3H3,(H,17,18)
InChI Key:
HBYHXFNYEOYAPX-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)n1nnc(c1)C(=O)O)OC(C)(C)C
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.133g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.3g/mol
Monoisotopic Mass:
282.133g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties