Chemical ID: 6681240

CC(C)(C)OC(=O)NC(CI)C(=O)OC
Chemical ID:
6681240
Name [?]:
methyl 3-iodo-2-tert-butoxycarbonylamino-propanoate
SMILES [?]:
CC(C)(C)OC(=O)NC(CI)C(=O)OC
InChi [?]:
InChI=1/C9H16INO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,10,9,12,6,2,11,8,13,7,14,5/E:(1,2,3)/rA:15cCCCCOCONCCICOOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s9;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16INO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.08295
Area:415.673
Solvation:-2.30887
Coulombic:-52.1787
Bond Count [?]
All:14
Single:12
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:329.132
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.29
LogP (Chemaxon):1.69

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Descriptor Annotations

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