chempirical

(αR)-α-Amino-3-thiopheneacetic acid

C6H7NO2SCAS 1194-86-1157.19 g/mol

Open in Covalent MOL file
H2NOHOS
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H7NO2S
Molar mass
157.19 g/mol
Exact mass
157.0197 Da
Melting point
218–221 °C
logP
0.83Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1194-86-1
SMILES
N[C@@H](C(=O)O)c1ccsc1
InChIKey
BVGBBSAQOQTNGF-RXMQYKEDSA-N
InChI
InChI=1S/C6H7NO2S/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,7H2,(H,8,9)/t5-/m1/s1

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

Names and synonyms

5 names
  • 3-Thiopheneacetic acid, α-amino-, (αR)-
  • 3-Thiopheneacetic acid, α-amino-, (R)-
  • D-(-)-3-Thienylglycine
  • (R)-2-Amino-2-(thiophen-3-yl)acetic acid
  • (2R)-2-Amino-2-(thiophen-3-yl)acetic acid

Work with (αR)-α-Amino-3-thiopheneacetic 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

3-Thiophenemalonic acid21080-92-266 % similar Phenylglycine2835-06-558 % similar L-Phenylglycine2935-35-558 % similar DL-Phenylglycine69-91-058 % similar (-)-Phenylglycine875-74-158 % similar D-P-Hydroxyphenylglycine22818-40-256 % similar Oxfenicine32462-30-956 % similar 4-Hydroxyphenylglycine938-97-656 % similar

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

Same formula

3-(2-Thiazolyl)propionic acid144163-65-5 Ethyl 1,3-thiazole-4-carboxylate14527-43-6 α-Amino-2-thiopheneacetic acid21124-40-3 Methyl 3-aminothiophene-2-carboxylate22288-78-4 Ethyl thiazole-5-carboxylate32955-22-9 (S)-2-Thienylglycine43189-45-3 Methyl 2-amino-3-thiophenecarboxylate4651-81-4 Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-2

Elsewhere

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