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1138324-46-5 | 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-4-fluoro-, 1,1-dimethylethyl ester, (2S,4R)-
CAS No: 1138324-46-5 Catalog No: AG0009U0 MDL No:MFCD23106393
Product Description
Catalog Number:
AG0009U0
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-4-fluoro-, 1,1-dimethylethyl ester, (2S,4R)-
CAS Number:
1138324-46-5
Molecular Formula:
C10H19FN2O2
Molecular Weight:
218.2685
MDL Number:
MFCD23106393
IUPAC Name:
tert-butyl (2S,4R)-2-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4-6,12H2,1-3H3/t7-,8+/m1/s1
InChI Key:
DADYKTRZKFJROI-SFYZADRCSA-N
SMILES:
NC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.143g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.272g/mol
Monoisotopic Mass:
218.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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