Chemical ID: 6759467

CC(C)(C)NC(=O)CCC(=O)[O-]
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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Descriptor Annotations

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