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Chemical ID: 7119435
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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