Chemical ID: 7096178

CC1CCCN(C1)CCC(=O)O
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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