Chemical ID: 4119971

CC1(C(CCC1(C)C(=O)O)C(=O)N2CCCCC2)C
Chemical ID:
4119971
Name [?]:
1,2,2-trimethyl-3-(1-piperidylcarbonyl)cyclopentane-1-carboxylic acid
SMILES [?]:
CC1(C(CCC1(C)C(=O)O)C(=O)N2CCCCC2)C
InChi [?]:
InChI=1/C15H25NO3/c1-14(2)11(7-8-15(14,3)13(18)19)12(17)16-9-5-4-6-10-16/h11H,4-10H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,7,16,15,17,4,5,14,18,3,11,8,2,6,13,12,9,10/E:(1,2)(5,6)(9,10)(18,19)/rA:19cCCCCCCCCOOCONCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s6;d8;s8;s3;d11;s11;s13;s14;s15;s16;s13s17;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.9035
Area:426.224
Solvation:-2.75211
Coulombic:-42.968
Bond Count [?]
All:20
Single:18
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.364
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.01
LogP (Chemaxon):2.42

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