Chemical ID: 6048044

CC(C)(C)OC(=O)NCCCCCCCCC(=O)O
Chemical ID:
6048044
Name [?]:
9-tert-butoxycarbonylaminononanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C14H27NO4/c1-14(2,3)19-13(18)15-11-9-7-5-4-6-8-10-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,14,11,15,10,16,9,17,6,2,8,18,19,7,5/E:(1,2,3)(16,17)/rA:19nCCCCOCONCCCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H27NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.8463
Area:538.307
Solvation:-2.61141
Coulombic:-60.6684
Bond Count [?]
All:18
Single:16
Double:2
Rotors:12
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:273.369
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.5
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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