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Chemical ID: 6681091
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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Experimental Annotations
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Descriptor Annotations
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