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Chemical ID: 7096178
Chemical ID:
7096178
Name [?]:
3-(3-methyl-1-piperidyl)propanoic acid
SMILES [?]:
CC1CCCN(C1)CCC(=O)O
InChi [?]:
InChI=1/C9H17NO2/c1-8-3-2-5-10(7-8)6-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,3,9,5,8,7,2,10,6,11,12/E:(11,12)/rA:12cCCCCCNCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 29 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.95736 |
Area: | 348.468 |
Solvation: | -1.75433 |
Coulombic: | -30.989 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.76 |
LogP (Chemaxon): | -1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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