Chemical ID: 6691460

CC(C)(C)OC(=O)NC1CCCC(C1)C(=O)O
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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