Chemical ID: 6424734

Cc1cc(c(c(c1)CN(C)CC(=O)O)O)C
Chemical ID:
6424734
Name [?]:
2-[(2-hydroxy-3,5-dimethyl-phenyl)methyl-methyl-amino]acetic acid
SMILES [?]:
Cc1cc(c(c(c1)CN(C)CC(=O)O)O)C
InChi [?]:
InChI=1/C12H17NO3/c1-8-4-9(2)12(16)10(5-8)6-13(3)7-11(14)15/h4-5,16H,6-7H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,10,3,7,8,11,2,4,6,12,5,9,13,14,15/E:(14,15)/rA:16cCCCCCCCCNCCCOOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;s11;d12;s12;s5;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.43512
Area:410.607
Solvation:-3.83006
Coulombic:-47.0288
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.41
LogP (Chemaxon):-0.38

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Descriptor Annotations

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