Chemical ID: 5103340

CN(C)CCOc1ccc(cc1OC)CC(C(=O)O)N
Chemical ID:
5103340
Name [?]:
2-amino-3-[4-(2-dimethylaminoethoxy)-3-methoxy-phenyl]-propanoic acid
SMILES [?]:
CN(C)CCOc1ccc(cc1OC)CC(C(=O)O)N
InChi [?]:
InChI=1/C14H22N2O4/c1-16(2)6-7-20-12-5-4-10(9-13(12)19-3)8-11(15)14(17)18/h4-5,9,11H,6-8,15H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,14,9,8,4,5,15,11,10,16,7,12,17,20,2,18,19,13,6/E:(1,2)(17,18)/rA:20cCNCCCOCCCCCCOCCCCOON/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N2O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:5.63847
Area:499.055
Solvation:-6.83789
Coulombic:-56.7572
Bond Count [?]
All:20
Single:16
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:282.336
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-1.96
LogP (Chemaxon):-2.04

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