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Chemical ID: 6691460
Chemical ID:
6691460
Name [?]:
3-tert-butoxycarbonylaminocyclohexane-1-carboxylic acid
SMILES [?]:
CC(C)(C)OC(=O)NC1CCCC(C1)C(=O)O
InChi [?]:
InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,12,10,14,13,9,15,6,2,8,16,17,7,5/E:(1,2,3)(14,15)/rA:17cCCCCOCONCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21NO4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.38108 |
Area: | 430.792 |
Solvation: | -2.38873 |
Coulombic: | -59.9753 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.299 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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