Chemical ID: 6359825

CC(C)(C)NC(=O)C1C2CC(C1C(=O)O)C=C2
Chemical ID:
6359825
Name [?]:
6-(tert-butylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SMILES [?]:
CC(C)(C)NC(=O)C1C2CC(C1C(=O)O)C=C2
InChi [?]:
InChI=1/C13H19NO3/c1-13(2,3)14-11(15)9-7-4-5-8(6-7)10(9)12(16)17/h4-5,7-10H,6H2,1-3H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,16,10,9,11,8,12,6,13,2,5,7,14,15/E:(1,2,3)(16,17)/rA:17cCCCCNCOCCCCCCOOCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s11;s9d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:4
ZAP Information [?]
Total:6.95685
Area:386.164
Solvation:-2.69725
Coulombic:-46.5615
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.35
LogP (Chemaxon):0.75

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Descriptor Annotations

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