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886363-84-4 | 1-(2-Amino-1-(2-methoxyphenyl)ethyl)pyrrolidine-3-carboxylic acid
CAS No: 886363-84-4 Catalog No: AG004A20 MDL No:
Product Description
Catalog Number:
AG004A20
Chemical Name:
1-(2-Amino-1-(2-methoxyphenyl)ethyl)pyrrolidine-3-carboxylic acid
CAS Number:
886363-84-4
Molecular Formula:
C14H20N2O3
Molecular Weight:
264.3202
IUPAC Name:
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C14H20N2O3/c1-19-13-5-3-2-4-11(13)12(8-15)16-7-6-10(9-16)14(17)18/h2-5,10,12H,6-9,15H2,1H3,(H,17,18)
InChI Key:
DMSZWLDMGGTLDP-UHFFFAOYSA-N
SMILES:
NCC(c1ccccc1OC)N1CCC(C1)C(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.325g/mol
Monoisotopic Mass:
264.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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