Chemical ID: 5292506

CC(C(=O)O)NC(=O)NCc1ccc(cc1)F
Chemical ID:
5292506
Name [?]:
2-[(4-fluorophenyl)methylcarbamoylamino]propanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)NCc1ccc(cc1)F
InChi [?]:
InChI=1/C11H13FN2O3/c1-7(10(15)16)14-11(17)13-6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,12,16,13,15,10,2,11,14,3,7,17,9,6,4,5,8/E:(2,3)(4,5)(15,16)/rA:17cCCCOONCONCCCCCCCF/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13FN2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.45206
Area:430.958
Solvation:-3.32188
Coulombic:-66.1111
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:240.231
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.13
LogP (Chemaxon):1.18

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