Chemical ID: 4257695

C=CCN1CCN(CC1)C(=O)CCCC(=O)O
Chemical ID:
4257695
Name [?]:
5-(4-allylpiperazin-1-yl)-5-oxo-pentanoic acid
SMILES [?]:
C=CCN1CCN(CC1)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C12H20N2O3/c1-2-6-13-7-9-14(10-8-13)11(15)4-3-5-12(16)17/h2H,1,3-10H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,14,3,5,9,6,8,10,15,4,7,11,16,17/E:(7,8)(9,10)(16,17)/rA:17nCCCNCCNCCCOCCCCOO/rB:d1;s2;s3;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.4832
Area:455.352
Solvation:-3.90059
Coulombic:-45.9898
Bond Count [?]
All:17
Single:14
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:240.299
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.16
LogP (Chemaxon):-3.62

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