Chemical ID: 6679828

CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OCc1ccccc1
Chemical ID:
6679828
Name [?]:
2-benzyloxycarbonylamino-4-oxo-4-tert-butoxy-butanoic acid
SMILES [?]:
CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C16H21NO6/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,20,22,19,23,8,17,18,9,6,10,14,2,13,7,11,12,15,16,5/E:(1,2,3)(5,6)(7,8)(19,20)/rA:23cCCCCOCOCCCOONCOOCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s10;s9;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21NO6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.73346
Area:551.423
Solvation:-4.05211
Coulombic:-78.345
Bond Count [?]
All:23
Single:17
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:323.341
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.24
LogP (Chemaxon):1.94

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