Chemical ID: 3964905

COc1cc(ccc1O)CC(C(=O)O)N
Chemical ID:
3964905
Name [?]:
2-amino-3-(4-hydroxy-3-methoxy-phenyl)-propanoic acid
SMILES [?]:
COc1cc(ccc1O)CC(C(=O)O)N
InChi [?]:
InChI=1/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,7,10,4,5,11,8,3,12,15,9,13,14,2/E:(13,14)/rA:15cCOCCCCCCOCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;s11;d12;s12;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.14347
Area:389.218
Solvation:-4.58699
Coulombic:-62.0767
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.215
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-1.87
LogP (Chemaxon):-1.68

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