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indoleacetyl glutamic acid

indoleacetyl glutamic acid

CAS: 192430-60-7

Formula: C15H16N2O5

SMILES: OC(=O)CCC(NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O

IUPAC: 2-[2-(1H-indol-3-yl)acetamido]pentanedioic acid

InChI: InChI=1/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)

Composition: C (59.21%), H (5.30%), N (9.21%), O (26.29%)

Molar Mass: 304.302

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 304.105921623
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 4
InChIKey YRKLGWOHYXIKSF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.54
Topological Polar Surface Area 119.49
Polarizability 30.69
Ring Count 2
Rotatable Bond Count 7

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