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Chemical ID: 6049477
Chemical ID:
6049477
Name [?]:
3-azabicyclo[3.3.0]octane-5-carboxylic acid
SMILES [?]:
C1CC2CNCC2(C1)C(=O)O
InChi [?]:
InChI=1/C8H13NO2/c10-7(11)8-3-1-2-6(8)4-9-5-8/h6,9H,1-5H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,8,4,6,3,9,7,5,10,11/E:(10,11)/rA:11cCCCCNCCCCOO/rB:s1;s2;s3;s4;s5;s3s6;s1s7;s7;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.74859 |
Area: | 297.672 |
Solvation: | -1.6932 |
Coulombic: | -35.4583 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 155.194 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.11 |
LogP (Chemaxon): | -1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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