Chemical ID: 6533279

C1CCC(CC1)NC(C(=O)O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
6533279
Name [?]:
2-(1-adamantyl)-2-cyclohexylamino-acetic acid
SMILES [?]:
C1CCC(CC1)NC(C(=O)O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H29NO2/c20-17(21)16(19-15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16,19H,1-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,18,20,17,13,21,16,14,19,4,8,9,12,7,10,11/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)(20,21)/rA:21cCCCCCCNCCOOCCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;d9;s9;s8;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.48431
Area:451.845
Solvation:-1.8118
Coulombic:-37.8015
Bond Count [?]
All:24
Single:23
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.428
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.82
LogP (Chemaxon):1.05

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