Chemical ID: 4119539

CC(C)CNC(=O)C1C2CC(C1C(=O)O)C=C2
Chemical ID:
4119539
Name [?]:
6-(isobutylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SMILES [?]:
CC(C)CNC(=O)C1C2CC(C1C(=O)O)C=C2
InChi [?]:
InChI=1/C13H19NO3/c1-7(2)6-14-12(15)10-8-3-4-9(5-8)11(10)13(16)17/h3-4,7-11H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,10,4,2,9,11,8,12,6,13,5,7,14,15/E:(1,2)(16,17)/rA:17cCCCCNCOCCCCCCOOCC/rB:s1;s2;s2;s4;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:7.15404
Area:400.98
Solvation:-2.87045
Coulombic:-47.0942
Bond Count [?]
All:18
Single:15
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.12
LogP (Chemaxon):1.13

Name Annotations

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Descriptor Annotations

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