Chemical ID: 7119435

CC(C)CN1CCN(CC1)CC(=O)O
Chemical ID:
7119435
Name [?]:
2-(4-isobutylpiperazin-1-yl)acetic acid
SMILES [?]:
CC(C)CN1CCN(CC1)CC(=O)O
InChi [?]:
InChI=1/C10H20N2O2/c1-9(2)7-11-3-5-12(6-4-11)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,6,10,7,9,4,11,2,12,5,8,13,14/E:(1,2)(3,4)(5,6)(13,14)/rA:14nCCCCNCCNCCCCOO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s8;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H20N2O2
All Atoms:34
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.21186
Area:386.759
Solvation:-2.45712
Coulombic:-36.3281
Bond Count [?]
All:14
Single:13
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.278
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.17
LogP (Chemaxon):-2.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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