Chemical ID: 5055521

CN1C2CCC1C(C(=O)C2)C(=O)OC
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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