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Chemical ID: 7090868
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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