Chemical ID: 5060326

CN1C2CCC(C1CC2)C(=O)O
Chemical ID:
5060326
Name [?]:
8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
SMILES [?]:
CN1C2CCC(C1CC2)C(=O)O
InChi [?]:
InChI=1/C9H15NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h6-8H,2-5H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,9,5,8,3,6,7,10,2,11,12/E:(11,12)/rA:12cCNCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;s3s8;s6;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:4
ZAP Information [?]
Total:5.78719
Area:307.399
Solvation:-1.89779
Coulombic:-30.8072
Bond Count [?]
All:13
Single:12
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:169.221
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.56
LogP (Chemaxon):-1.85

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Descriptor Annotations

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