(αS)-α-Aminobenzo[B]thiophene-3-propanoic acid

C₁₁H₁₁NO₂SCAS 72120-71-9221.27 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₁NO₂S
Molar mass: 221.27 g/mol
Exact mass: 221.0510 Da
Melting point: 248–250 °C (decomposes)
logP: 1.86Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

72120-71-9

SMILES

N[C@@H](Cc1csc2ccccc12)C(=O)O

InChIKey

GAUUPDQWKHTCAX-VIFPVBQESA-N

InChI

InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzo[b]thiophene-3-propanoic acid, α-amino-, (αS)-
Benzo[b]thiophene-3-propanoic acid, α-amino-, (S)-
L-Thiotryptophan
(-)-2-Amino(benzo[b]thiophen-3-yl)propionic acid
(2S)-2-Amino-3-(1-benzothiophen-3-yl)propanoic acid

Work with (αS)-α-Aminobenzo[B]thiophene-3-propanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

D-Tryptophan153-94-657 % similar (±)-Tryptophan54-12-657 % similar Tryptophan73-22-357 % similar 1-Methyl-D-tryptophan110117-83-456 % similar 1-Methyl-L-tryptophan21339-55-956 % similar (±)-O-Tyrosine2370-61-856 % similar 2-Chloro-L-phenylalanine103616-89-355 % similar 2-Fluoro-L-phenylalanine19883-78-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Tosylpyrrole17639-64-4

Elsewhere

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