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Chemical ID: 5600661
Chemical ID:
5600661
Name [?]:
methyl 3-cyclooctylaminopropanoate
SMILES [?]:
COC(=O)CCNC1CCCCCCC1
InChi [?]:
InChI=1/C12H23NO2/c1-15-12(14)9-10-13-11-7-5-3-2-4-6-8-11/h11,13H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,9,15,5,6,8,3,7,4,2/E:(3,4)(5,6)(7,8)/rA:15nCOCOCCNCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s13;s8s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50259 |
Area: | 412.86 |
Solvation: | -1.81892 |
Coulombic: | -27.8121 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.08 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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