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1270029-90-7 | Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2-(2-amino-2-oxoethyl)-2,6-dihydro-, 1,1-dimethylethyl ester
CAS No: 1270029-90-7 Catalog No: AG000WJ5 MDL No:
Product Description
Catalog Number:
AG000WJ5
Chemical Name:
Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 2-(2-amino-2-oxoethyl)-2,6-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1270029-90-7
Molecular Formula:
C12H18N4O3
Molecular Weight:
266.2963
IUPAC Name:
tert-butyl 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)15-4-8-5-16(7-10(13)17)14-9(8)6-15/h5H,4,6-7H2,1-3H3,(H2,13,17)
InChI Key:
YVEMHRRTYLLMSQ-UHFFFAOYSA-N
SMILES:
NC(=O)Cn1nc2c(c1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.301g/mol
Monoisotopic Mass:
266.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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