Chemical ID: 5859903

CC(C)C(C(=O)O)NC(=O)c1cc2ccccc2cc1O
Chemical ID:
5859903
Name [?]:
2-[(3-hydroxy-2-naphthyl)carbonylamino]-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)c1cc2ccccc2cc1O
InChi [?]:
InChI=1/C16H17NO4/c1-9(2)14(16(20)21)17-15(19)12-7-10-5-3-4-6-11(10)8-13(12)18/h3-9,14,18H,1-2H3,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,14,17,12,19,2,13,18,11,20,4,9,5,8,21,10,6,7/E:(1,2)(20,21)/rA:21cCCCCCOONCOCCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;d12;s13;d14;s15;d16;s13s17;d18;d11s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.80058
Area:470.417
Solvation:-3.95985
Coulombic:-65.5718
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.311
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.28
LogP (Chemaxon):3.26

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue