Chemical ID: 6427540

Cc1cccc(c1NCC(=O)O)C
Chemical ID:
6427540
Name [?]:
2-(2,6-dimethylphenyl)aminoacetic acid
SMILES [?]:
Cc1cccc(c1NCC(=O)O)C
InChi [?]:
InChI=1/C10H13NO2/c1-7-4-3-5-8(2)10(7)11-6-9(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,4,3,5,9,2,6,10,7,8,11,12/E:(1,2)(4,5)(7,8)(12,13)/rA:13nCCCCCCCNCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s6;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.52769
Area:353.742
Solvation:-2.31587
Coulombic:-38.3843
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.216
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.5
LogP (Chemaxon):1.05

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Descriptor Annotations

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