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Chemical ID: 6192047
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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