(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid

Status : experimental

Description

(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid is a solid. This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. (1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid is known to target interleukin-2.

Chemical Classification

This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.

Indole-3-acetic acid derivatives

Organic compounds

Organoheterocyclic compounds

Indoles and derivatives

Indolyl carboxylic acids and derivatives

Calculated Property

kind Value Source
logP 1.27 ALOGPS
logS -3.4 ALOGPS
Water Solubility 1.06e-01 g/l ALOGPS
logP 1.42 ChemAxon
IUPAC Name (2R)-2-(1H-indol-3-yl)-2-[(2-sulfanylethoxy)amino]acetic acid ChemAxon
Traditional IUPAC Name (R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]acetic acid ChemAxon
Molecular Weight 266.316 ChemAxon
Monoisotopic Weight 266.072513014 ChemAxon
SMILES [H][C@](NOCCS)(C(O)=O)C1=CNC2=C1C=CC=C2 ChemAxon
Molecular Formula C12H14N2O3S ChemAxon
InChI InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1 ChemAxon
InChIKey InChIKey=FJAWIBGKKKXXAL-LLVKDONJSA-N ChemAxon
Polar Surface Area (PSA) 74.35 ChemAxon
Refractivity 80.66 ChemAxon
Polarizability 27.27 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 4.38 ChemAxon
pKa (strongest basic) 2.65 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Interleukin-2 : in Human