Chemical ID: 5156211

CCC(C(=O)O)N(C)Cc1ccccc1
Chemical ID:
5156211
Name [?]:
2-(benzyl-methyl-amino)butanoic acid
SMILES [?]:
CCC(C(=O)O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C12H17NO2/c1-3-11(12(14)15)13(2)9-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,2,13,12,14,11,15,9,10,3,4,7,5,6/E:(5,6)(7,8)(14,15)/rA:15cCCCCOONCCCCCCCC/rB:s1;s2;s3;d4;s4;s3;s7;s7;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:7.73203
Area:383.028
Solvation:-1.84368
Coulombic:-34.5333
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.04
LogP (Chemaxon):-0.16

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