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886363-85-5 | 3-Pyrrolidinecarboxylicacid, 1-[2-amino-1-(2-aminophenyl)ethyl]-
CAS No: 886363-85-5 Catalog No: AG0049LX MDL No:
Product Description
Catalog Number:
AG0049LX
Chemical Name:
3-Pyrrolidinecarboxylicacid, 1-[2-amino-1-(2-aminophenyl)ethyl]-
CAS Number:
886363-85-5
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
1-[2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H19N3O2/c14-7-12(10-3-1-2-4-11(10)15)16-6-5-9(8-16)13(17)18/h1-4,9,12H,5-8,14-15H2,(H,17,18)
InChI Key:
NMGKFFIUIMKEKZ-UHFFFAOYSA-N
SMILES:
NCC(c1ccccc1N)N1CCC(C1)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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