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1417789-47-9 | 1-Pyrrolidinecarboxylic acid, 3-[(6-amino-2-pyrazinyl)oxy]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1417789-47-9 Catalog No: AG001H2O MDL No:MFCD22631753
Product Description
Catalog Number:
AG001H2O
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(6-amino-2-pyrazinyl)oxy]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1417789-47-9
Molecular Formula:
C13H20N4O3
Molecular Weight:
280.3229
MDL Number:
MFCD22631753
IUPAC Name:
tert-butyl (3S)-3-(6-aminopyrazin-2-yl)oxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H20N4O3/c1-13(2,3)20-12(18)17-5-4-9(8-17)19-11-7-15-6-10(14)16-11/h6-7,9H,4-5,8H2,1-3H3,(H2,14,16)/t9-/m0/s1
InChI Key:
SSQPTKBJDXDUOU-VIFPVBQESA-N
SMILES:
O=C(N1CC[C@@H](C1)Oc1cncc(n1)N)OC(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.328g/mol
Monoisotopic Mass:
280.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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