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Chemical ID: 4408859
Chemical ID:
4408859
Name [?]:
3-diisobutylaminopropanoic acid
SMILES [?]:
CC(C)CN(CCC(=O)O)CC(C)C
InChi [?]:
InChI=1/C11H23NO2/c1-9(2)7-12(8-10(3)4)6-5-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,7,6,4,11,2,12,8,5,9,10/E:(1,2,3,4)(7,8)(9,10)(13,14)/rA:14nCCCCNCCCOOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s5;s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H23NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58874 |
Area: | 407.854 |
Solvation: | -1.6076 |
Coulombic: | -32.0624 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 201.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.76 |
LogP (Chemaxon): | -0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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