Chemical ID: 6691772

CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)O
Chemical ID:
6691772
Name [?]:
4-tert-butoxycarbonylaminocyclohexane-1-carboxylic acid
SMILES [?]:
CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)O
InChi [?]:
InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-8(5-7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,13,10,14,12,9,15,6,2,8,16,17,7,5/E:(1,2,3)(4,5)(6,7)(14,15)/rA:17nCCCCOCONCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.42424
Area:434.43
Solvation:-2.43651
Coulombic:-60.0115
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

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