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1246652-29-8 | Spiro[cyclobutane-1,6'(5'H)-pyrrolo[3,4-c]pyrazole]-5'-carboxylic acid, 3'-amino-1',4'-dihydro-, 1,1-dimethylethyl ester
CAS No: 1246652-29-8 Catalog No: AG000MKJ MDL No:
Product Description
Catalog Number:
AG000MKJ
Chemical Name:
Spiro[cyclobutane-1,6'(5'H)-pyrrolo[3,4-c]pyrazole]-5'-carboxylic acid, 3'-amino-1',4'-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1246652-29-8
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
IUPAC Name:
tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-c]pyrazole-6,1'-cyclobutane]-5-carboxylate
InChI:
InChI=1S/C13H20N4O2/c1-12(2,3)19-11(18)17-7-8-9(15-16-10(8)14)13(17)5-4-6-13/h4-7H2,1-3H3,(H3,14,15,16)
InChI Key:
KKWCSMNDIQTVNV-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C31CCC3)[nH]nc2N)OC(C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.329g/mol
Monoisotopic Mass:
264.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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