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1007881-98-2 | 1-Pyrrolidinecarboxylic acid, 2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1007881-98-2 Catalog No: AG0002VN MDL No:MFCD21496634
Product Description
Catalog Number:
AG0002VN
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1007881-98-2
Molecular Formula:
C18H23BrN2O4
Molecular Weight:
411.2902
MDL Number:
MFCD21496634
IUPAC Name:
tert-butyl (2S)-2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C18H23BrN2O4/c1-18(2,3)25-17(24)21-10-4-5-14(21)16(23)20-11-15(22)12-6-8-13(19)9-7-12/h6-9,14H,4-5,10-11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChI Key:
ZUVCUAVWIIYSEL-AWEZNQCLSA-N
SMILES:
O=C([C@@H]1CCCN1C(=O)OC(C)(C)C)NCC(=O)c1ccc(cc1)Br
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
410.084g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.296g/mol
Monoisotopic Mass:
410.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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