Chemical ID: 6192047

CC(C)CC(C(=O)O)NC(=O)COc1cccc2c1cccc2
Chemical ID:
6192047
Name [?]:
4-methyl-2-[2-(1-naphthyloxy)acetyl]amino-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)COc1cccc2c1cccc2
InChi [?]:
InChI=1/C18H21NO4/c1-12(2)10-15(18(21)22)19-17(20)11-23-16-9-5-7-13-6-3-4-8-14(13)16/h3-9,12,15H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,22,21,16,23,17,20,15,4,12,2,18,19,5,14,10,6,9,11,7,8,13/E:(1,2)(21,22)/rA:23cCCCCCCOONCOCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.58576
Area:538.591
Solvation:-4.87902
Coulombic:-57.2722
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:315.364
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):2.99

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Descriptor Annotations

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