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886364-02-9 | 1-(2-Amino-1-(4-fluorophenyl)ethyl)pyrrolidine-3-carboxylic acid
CAS No: 886364-02-9 Catalog No: AG0049LT MDL No:
Product Description
Catalog Number:
AG0049LT
Chemical Name:
1-(2-Amino-1-(4-fluorophenyl)ethyl)pyrrolidine-3-carboxylic acid
CAS Number:
886364-02-9
Molecular Formula:
C13H17FN2O2
Molecular Weight:
252.2847
IUPAC Name:
1-[2-amino-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H17FN2O2/c14-11-3-1-9(2-4-11)12(7-15)16-6-5-10(8-16)13(17)18/h1-4,10,12H,5-8,15H2,(H,17,18)
InChI Key:
JQEOMOILFCBLJY-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)F)N1CCC(C1)C(=O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.289g/mol
Monoisotopic Mass:
252.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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