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

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

CAS No.:
1269504-36-0
Catalog Number:
AG01EKFL
Molecular Formula:
C13H20N4O4
Molecular Weight:
296.3223
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Product Description
Catalog Number:
AG01EKFL
Chemical Name:
1-{[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1269504-36-0
Molecular Formula:
C13H20N4O4
Molecular Weight:
296.3223
MDL Number:
MFCD18459236
IUPAC Name:
1-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]triazole-4-carboxylic acid
InChI:
InChI=1S/C13H20N4O4/c1-13(2,3)21-12(20)17-6-4-5-9(17)7-16-8-10(11(18)19)14-15-16/h8-9H,4-7H2,1-3H3,(H,18,19)/t9-/m0/s1
InChI Key:
MEIXGBZODIXQNM-VIFPVBQESA-N
SMILES:
O=C(N1CCC[C@H]1Cn1nnc(c1)C(=O)O)OC(C)(C)C
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
5  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties