Chemical ID: 3965250

CC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O
Chemical ID:
3965250
Name [?]:
2-acetamido-3-(1H-indol-3-yl)propanoic acid
SMILES [?]:
CC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O
InChi [?]:
InChI=1/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,6,8,2,7,11,10,5,16,9,4,3,17,18/E:(17,18)/rA:18cCCONCCCCNCCCCCCCOO/rB:s1;d2;s2;s4;s5;s6;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s5;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.16016
Area:430.746
Solvation:-3.60849
Coulombic:-57.3024
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.262
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.13
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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