Chemical ID: 4088506

c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N
Chemical ID:
4088506
Name [?]:
2-amino-3-(5-hydroxy-1H-indol-3-yl)-propanoic acid
SMILES [?]:
c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N
InChi [?]:
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,11,5,9,8,6,4,12,3,13,16,10,7,14,15/E:(15,16)/rA:16cCCCCCCOCCNCCCOON/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s8;s11;s12;d13;s13;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.49392
Area:394.646
Solvation:-3.37224
Coulombic:-65.0238
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.225
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-1.71
LogP (Chemaxon):-1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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