Chemical ID: 5288148

CC(C)CC(C(=O)O)NC(=O)Nc1ccc(cc1)F
Chemical ID:
5288148
Name [?]:
2-[(4-fluorophenyl)carbamoylamino]-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)Nc1ccc(cc1)F
InChi [?]:
InChI=1/C13H17FN2O3/c1-8(2)7-11(12(17)18)16-13(19)15-10-5-3-9(14)4-6-10/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,17,14,18,4,2,16,13,5,6,10,19,12,9,7,8,11/E:(1,2)(3,4)(5,6)(17,18)/rA:19cCCCCCCOONCONCCCCCCF/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17FN2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.8643
Area:460.254
Solvation:-3.64205
Coulombic:-65.3926
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:268.284
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.42
LogP (Chemaxon):2.76

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