Chemical ID: 6835968

CC(C)(C)N1CC(CC1=O)C(=O)[O-]
Chemical ID:
6835968
Name [?]:
5-oxo-1-tert-butyl-pyrrolidine-3-carboxylate
SMILES [?]:
CC(C)(C)N1CC(CC1=O)C(=O)[O-]
InChi [?]:
InChI=1/C9H15NO3/c1-9(2,3)10-5-6(8(12)13)4-7(10)11/h6H,4-5H2,1-3H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,8,6,7,9,11,2,5,10,12,13/E:(1,2,3)(12,13)/rA:13cCCCCNCCCCOCOO-/rB:s1;s2;s2;s2;s5;s6;s7;s5s8;d9;s7;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14NO3-
All Atoms:27
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-32.5504
Area:344.855
Solvation:-41.1717
Coulombic:-16.6127
Bond Count [?]
All:13
Single:11
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.212
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.3
LogP (Chemaxon):-0.09

Name Annotations

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Descriptor Annotations

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