Chemical ID: 5788061

COc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
Chemical ID:
5788061
Name [?]:
2-amino-3-(5-methoxy-1H-indol-3-yl)-propanoic acid
SMILES [?]:
COc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
InChi [?]:
InChI=1/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,5,12,8,10,9,3,7,13,6,14,17,11,15,16,2/E:(15,16)/rA:17cCOCCCCCCCCNCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s9;s12;s13;d14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.54061
Area:414.461
Solvation:-3.82092
Coulombic:-56.3001
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.251
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-1.39
LogP (Chemaxon):-0.99

Name Annotations

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Descriptor Annotations

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