Chemical ID: 5129761

CC(c1ccncc1)N2CCCC2C(=O)O
Chemical ID:
5129761
Name [?]:
1-[1-(4-pyridyl)ethyl]pyrrolidine-2-carboxylic acid
SMILES [?]:
CC(c1ccncc1)N2CCCC2C(=O)O
InChi [?]:
InChI=1/C12H16N2O2/c1-9(10-4-6-13-7-5-10)14-8-2-3-11(14)12(15)16/h4-7,9,11H,2-3,8H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,12,4,8,5,7,10,2,3,13,14,6,9,15,16/E:(4,5)(6,7)(15,16)/rA:16cCCCCCNCCNCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s9s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:3
ZAP Information [?]
Total:6.76983
Area:366.064
Solvation:-2.38178
Coulombic:-37.0381
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.268
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.04
LogP (Chemaxon):-1.54

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