Chemical ID: 5779239

CC(Cc1c[nH]c2c1cccc2)(C(=O)O)N
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

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Experimental Annotations

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Descriptor Annotations

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