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1001201-61-1 | 1-Piperazinecarboxylic acid, 4-[(5R,7S)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester
CAS No: 1001201-61-1 Catalog No: AG0000ZN MDL No:MFCD22376578
Product Description
Catalog Number:
AG0000ZN
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(5R,7S)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-, 1,1-dimethylethyl ester
CAS Number:
1001201-61-1
Molecular Formula:
C17H26N4O3
Molecular Weight:
334.4133
MDL Number:
MFCD22376578
IUPAC Name:
tert-butyl 4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C17H26N4O3/c1-11-9-12(22)14-13(11)15(19-10-18-14)20-5-7-21(8-6-20)16(23)24-17(2,3)4/h10-12,22H,5-9H2,1-4H3/t11-,12+/m1/s1
InChI Key:
FJZNFQTYLHVIML-NEPJUHHUSA-N
SMILES:
C[C@@H]1C[C@@H](c2c1c(ncn2)N1CCN(CC1)C(=O)OC(C)(C)C)O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
334.2g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.42g/mol
Monoisotopic Mass:
334.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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