Chemical ID: 7029268

C1CCC(C1)(CC(=O)N2CCNCC2)CC(=O)O
Chemical ID:
7029268
Name [?]:
2-[1-(piperazin-1-ylcarbonylmethyl)cyclopentyl]acetic acid
SMILES [?]:
C1CCC(C1)(CC(=O)N2CCNCC2)CC(=O)O
InChi [?]:
InChI=1/C13H22N2O3/c16-11(15-7-5-14-6-8-15)9-13(10-12(17)18)3-1-2-4-13/h14H,1-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,11,13,10,14,6,15,7,16,4,12,9,8,17,18/E:(1,2)(3,4)(5,6)(7,8)(17,18)/rA:18nCCCCCCCONCCNCCCCOO/rB:s1;s2;s3;s1s4;s4;s6;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H22N2O3
All Atoms:40
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.06463
Area:428.716
Solvation:-2.65327
Coulombic:-50.0382
Bond Count [?]
All:19
Single:17
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:254.325
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.9
LogP (Chemaxon):-3.84

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Descriptor Annotations

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