Home Carboxys 5-[(tert-butoxy)carbonyl]-2-methyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid

5-[(tert-butoxy)carbonyl]-2-methyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid

CAS No.:
2137448-17-8
Catalog Number:
AG01EKTB
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
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Product Description
Catalog Number:
AG01EKTB
Chemical Name:
5-[(tert-butoxy)carbonyl]-2-methyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CAS Number:
2137448-17-8
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
IUPAC Name:
2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-6-8-7(5-14(4)13-8)9(15)10(16)17/h5,9H,6H2,1-4H3,(H,16,17)
InChI Key:
OYYXWGDPYISTLE-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1)C(N(C2)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties