Chemical ID: 6427325

CC(C(=O)O)N(C)Cc1ccccc1
Chemical ID:
6427325
Name [?]:
2-(benzyl-methyl-amino)propanoic acid
SMILES [?]:
CC(C(=O)O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C11H15NO2/c1-9(11(13)14)12(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,7,12,11,13,10,14,8,2,9,3,6,4,5/E:(4,5)(6,7)(13,14)/rA:14cCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:6.73767
Area:366.929
Solvation:-2.43555
Coulombic:-33.3625
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:193.242
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.68
LogP (Chemaxon):-0.61

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