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Chemical ID: 4122263
Chemical ID:
4122263
Name [?]:
2-(4-methyl-1-piperidyl)acetic acid
SMILES [?]:
CC1CCN(CC1)CC(=O)O
InChi [?]:
InChI=1/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,2,9,5,10,11/E:(2,3)(4,5)(10,11)/rA:11nCCCCNCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H15NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.84461 |
Area: | 319.336 |
Solvation: | -2.13878 |
Coulombic: | -31.5158 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 157.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.82 |
LogP (Chemaxon): | -1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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