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Chemical ID: 5401926
Chemical ID:
5401926
Name [?]:
carbamoylmethyl 2-(2-furylcarbonylamino)-3-methyl-butanoate
SMILES [?]:
CC(C)C(C(=O)OCC(=O)N)NC(=O)c1ccco1
InChi [?]:
InChI=1/C12H16N2O5/c1-7(2)10(12(17)19-6-9(13)15)14-11(16)8-4-3-5-18-8/h3-5,7,10H,6H2,1-2H3,(H2,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,8,2,15,9,4,13,5,11,12,10,14,6,19,7/E:(1,2)/rA:19cCCCCCOOCCONNCOCCCCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;s4;s12;d13;s13;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.47513 |
Area: | 467.965 |
Solvation: | -4.22401 |
Coulombic: | -74.4152 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 268.266 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.33 |
LogP (Chemaxon): | -0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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