Chemical ID: 7252588

CC(CNC1CCCCCCC1)C(=O)OC
Chemical ID:
7252588
Name [?]:
methyl 3-cyclooctylamino-2-methyl-propanoate
SMILES [?]:
CC(CNC1CCCCCCC1)C(=O)OC
InChi [?]:
InChI=1/C13H25NO2/c1-11(13(15)16-2)10-14-12-8-6-4-3-5-7-9-12/h11-12,14H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,9,8,10,7,11,6,12,3,2,5,13,4,14,15/E:(4,5)(6,7)(8,9)/rA:16cCCCNCCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s5s11;s2;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H25NO2
All Atoms:41
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.98493
Area:427.079
Solvation:-1.69203
Coulombic:-28.5866
Bond Count [?]
All:16
Single:15
Double:1
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:227.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.37
LogP (Chemaxon):2.49

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Descriptor Annotations

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