Chemical ID: 4575515

CC(C)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O
Chemical ID:
4575515
Name [?]:
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
SMILES [?]:
CC(C)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O
InChi [?]:
InChI=1/C15H18N2O3/c1-9(2)14(18)17-13(15(19)20)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,13,16H,7H2,1-2H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,14,17,8,10,2,9,13,12,7,4,18,11,6,5,19,20/E:(1,2)(19,20)/rA:20cCCCCONCCCCNCCCCCCCOO/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;s11;s9s12;d13;s14;d15;d12s16;s7;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.1716
Area:464.521
Solvation:-3.44143
Coulombic:-58.6139
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.315
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.68
LogP (Chemaxon):2.57

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