Chemical ID: 5103100

COc1ccccc1CC(C(=O)O)N
Chemical ID:
5103100
Name [?]:
2-amino-3-(2-methoxyphenyl)-propanoic acid
SMILES [?]:
COc1ccccc1CC(C(=O)O)N
InChi [?]:
InChI=1/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,9,8,10,3,11,14,12,13,2/E:(12,13)/rA:14cCOCCCCCCCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.22735
Area:367.064
Solvation:-2.94923
Coulombic:-47.2192
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.215
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-1.46
LogP (Chemaxon):-1.4

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