Chemical ID: 5789083

CC(C)C(C(=O)O)N(C)C(=O)OCC1c2ccccc2-c3c1cccc3
Chemical ID:
5789083
Name [?]:
2-(9H-fluoren-9-ylmethoxycarbonyl-methyl-amino)-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)N(C)C(=O)OCC1c2ccccc2-c3c1cccc3
InChi [?]:
InChI=1/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,9,18,25,17,24,19,26,16,23,13,2,20,21,15,22,14,4,5,10,8,6,7,11,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)(23,24)/rA:26cCCCCCOONCCOOCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s4;s8;s8;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s14s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.2858
Area:559.652
Solvation:-2.70551
Coulombic:-59.9685
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.412
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.86
LogP (Chemaxon):4.32

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Descriptor Annotations

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