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Chemical ID: 6759467
Chemical ID:
6759467
Name [?]:
4-oxo-4-tert-butylamino-butanoate
SMILES [?]:
CC(C)(C)NC(=O)CCC(=O)[O-]
InChi [?]:
InChI=1/C8H15NO3/c1-8(2,3)9-6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,8,9,6,10,2,5,7,11,12/E:(1,2,3)(11,12)/rA:12nCCCCNCOCCCOO-/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14NO3- |
All Atoms: | 26 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.8991 |
Area: | 350.89 |
Solvation: | -43.6714 |
Coulombic: | -18.5209 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 172.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.1 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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