(R)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride

C8H12ClNO2SCAS 269726-91-2221.70 g/mol

Open in Covalent MOL file
SOOHNH2HCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H12ClNO2S
Molar mass
221.70 g/mol
Exact mass
221.0277 Da
logP
1.51Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
269726-91-2
SMILES
C1=CSC=C1C[C@H](CC(=O)O)N.Cl
InChIKey
QDZZLMYYGBIDFT-OGFXRTJISA-N
InChI
InChI=1S/C8H11NO2S.ClH/c9-7(4-8(10)11)3-6-1-2-12-5-6;/h1-2,5,7H,3-4,9H2,(H,10,11);1H/t7-;/m1./s1

Weigh it out

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

Work with (R)-3-Amino-4-(3-thienyl)butanoic acid hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(βS)-β-Amino-3-thiophenebutanoic acid270262-99-2Free base, enantiomer

Similar compounds

(S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-267 % similar (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-467 % similar (R)-3-Amino-4-(p-tolyl)butanoic acid hydrochloride177839-85-962 % similar (S)-3-Amino-4-(4-bromophenyl)butanoic acid hydrochloride270062-84-562 % similar (S)-3-Amino-4-(4-fluorophenyl)butanoic acid hydrochloride270596-53-762 % similar β-Aminobenzenebutanoic acid15099-85-159 % similar (R)-3-Amino-4-(3-pyridyl)-butyric acid-2hcl269396-64-758 % similar (R)-3-Amino-4-(2-naphthyl)butanoic acid hydrochloride269398-90-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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