Chemical ID: 5401926

CC(C)C(C(=O)OCC(=O)N)NC(=O)c1ccco1
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

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Descriptor Annotations

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