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1353948-44-3 | [3-(Benzyl-ethyl-amino)-pyrrolidin-1-yl]-acetic acid
CAS No: 1353948-44-3 Catalog No: AG01F8HM MDL No:
Product Description
Catalog Number:
AG01F8HM
Chemical Name:
[3-(Benzyl-ethyl-amino)-pyrrolidin-1-yl]-acetic acid
CAS Number:
1353948-44-3
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
2-[3-[benzyl(ethyl)amino]pyrrolidin-1-yl]acetic acid
InChI:
InChI=1S/C15H22N2O2/c1-2-17(10-13-6-4-3-5-7-13)14-8-9-16(11-14)12-15(18)19/h3-7,14H,2,8-12H2,1H3,(H,18,19)
InChI Key:
HPVBDLHQWLLFAZ-UHFFFAOYSA-N
SMILES:
CCN(C1CCN(C1)CC(=O)O)Cc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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