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Chemical ID: 5055521
Chemical ID:
5055521
Name [?]:
methyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-4-carboxylate
SMILES [?]:
CN1C2CCC1C(C(=O)C2)C(=O)OC
InChi [?]:
InChI=1/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,4,5,10,3,6,8,7,11,2,9,12,13/rA:14cCNCCCCCCOCCOOC/rB:s1;s2;s3;s4;s2s5;s6;s7;d8;s3s8;s7;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 5.51417 |
Area: | 344.07 |
Solvation: | -3.08759 |
Coulombic: | -29.0527 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.231 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.45 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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