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Chemical ID: 4119971
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
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Experimental Annotations
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Descriptor Annotations
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