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886363-96-8 | 1-(2-Amino-1-(3,4-dimethoxyphenyl)ethyl)pyrrolidine-3-carboxylic acid
CAS No: 886363-96-8 Catalog No: AG004AOV MDL No:
Product Description
Catalog Number:
AG004AOV
Chemical Name:
1-(2-Amino-1-(3,4-dimethoxyphenyl)ethyl)pyrrolidine-3-carboxylic acid
CAS Number:
886363-96-8
Molecular Formula:
C15H22N2O4
Molecular Weight:
294.3462
IUPAC Name:
1-[2-amino-1-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C15H22N2O4/c1-20-13-4-3-10(7-14(13)21-2)12(8-16)17-6-5-11(9-17)15(18)19/h3-4,7,11-12H,5-6,8-9,16H2,1-2H3,(H,18,19)
InChI Key:
PMSFHMBZPILRRH-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(c(c1)OC)OC)N1CCC(C1)C(=O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.351g/mol
Monoisotopic Mass:
294.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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