Chemical ID: 7090868

Cc1ccccc1NC2(CCCC2)C(=O)O
Chemical ID:
7090868
Name [?]:
1-(o-tolylamino)cyclopentane-1-carboxylic acid
SMILES [?]:
Cc1ccccc1NC2(CCCC2)C(=O)O
InChi [?]:
InChI=1/C13H17NO2/c1-10-6-2-3-7-11(10)14-13(12(15)16)8-4-5-9-13/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,5,11,12,3,6,10,13,2,7,14,9,8,15,16/E:(4,5)(8,9)(15,16)/rA:16nCCCCCCCNCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s9s12;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO2
All Atoms:33
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.93901
Area:388.713
Solvation:-1.77881
Coulombic:-41.001
Bond Count [?]
All:17
Single:13
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.28
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.29
LogP (Chemaxon):2.19

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Descriptor Annotations

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