Chemical ID: 6679940

CC(C)(C)OC(=O)NC(CC(=O)O)COCc1ccccc1
Chemical ID:
6679940
Name [?]:
4-benzyloxy-3-tert-butoxycarbonylamino-butanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CC(=O)O)COCc1ccccc1
InChi [?]:
InChI=1/C16H23NO5/c1-16(2,3)22-15(20)17-13(9-14(18)19)11-21-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,19,21,18,22,10,16,14,17,9,11,6,2,8,12,13,7,15,5/E:(1,2,3)(5,6)(7,8)(18,19)/rA:22cCCCCOCONCCCOOCOCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s11;s9;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.27141
Area:543.595
Solvation:-4.31846
Coulombic:-68.3455
Bond Count [?]
All:22
Single:17
Double:5
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.358
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.28
LogP (Chemaxon):2.08

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