ChemDB: Chemical Search
Download
Chemical ID: 5779239
Chemical ID:
5779239
Name [?]:
2-amino-3-(1H-indol-3-yl)-2-methyl-propanoic acid
SMILES [?]:
CC(Cc1c[nH]c2c1cccc2)(C(=O)O)N
InChi [?]:
InChI=1/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,3,5,4,8,7,13,2,16,6,14,15/E:(15,16)/rA:16cCCCCCNCCCCCCCOON/rB:s1;s2;s3;d4;s5;s6;s4s7;d8;s9;d10;d7s11;s2;d13;s13;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.16513 |
Area: | 381.269 |
Solvation: | -2.36659 |
Coulombic: | -50.8646 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.252 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -1.2 |
LogP (Chemaxon): | -0.54 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|