Chemical ID: 6681091

CC(C)(C)OC(=O)NCCCCCCCC(=O)O
Chemical ID:
6681091
Name [?]:
8-tert-butoxycarbonylaminooctanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NCCCCCCCC(=O)O
InChi [?]:
InChI=1/C13H25NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,11,14,10,15,9,16,6,2,8,17,18,7,5/E:(1,2,3)(15,16)/rA:18nCCCCOCONCCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H25NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.2224
Area:511.543
Solvation:-2.56623
Coulombic:-60.3627
Bond Count [?]
All:17
Single:15
Double:2
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:259.342
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.93
LogP (Chemaxon):2.23

Name Annotations

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Descriptor Annotations

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