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Chemical ID: 6681240
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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