Chemical ID: 5276955

CC(C(=O)O)NC(=O)N(C1CCCCC1)C2CCCCC2
Chemical ID:
5276955
Name [?]:
2-(dicyclohexylcarbamoylamino)propanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)N(C1CCCCC1)C2CCCCC2
InChi [?]:
InChI=1/C16H28N2O3/c1-12(15(19)20)17-16(21)18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,19,12,14,18,20,11,15,17,21,2,10,16,3,7,6,9,4,5,8/E:(2,3)(4,5,6,7)(8,9,10,11)(13,14)(19,20)/rA:21cCCCOONCONCCCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s9;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.0889
Area:480.236
Solvation:-1.91697
Coulombic:-59.08
Bond Count [?]
All:22
Single:20
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.405
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.06
LogP (Chemaxon):2.69

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