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887578-74-7 | 1-Pyrrolidinecarboxylicacid, 3-[[(4-fluorophenyl)methyl]amino]-, 1,1-dimethylethyl ester
CAS No: 887578-74-7 Catalog No: AG004EBP MDL No:
Product Description
Catalog Number:
AG004EBP
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[[(4-fluorophenyl)methyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
887578-74-7
Molecular Formula:
C16H23FN2O2
Molecular Weight:
294.3644
IUPAC Name:
tert-butyl 3-[(4-fluorophenyl)methylamino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-8-14(11-19)18-10-12-4-6-13(17)7-5-12/h4-7,14,18H,8-11H2,1-3H3
InChI Key:
AOGFCANIWBCDTA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CNC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.37g/mol
Monoisotopic Mass:
294.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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