chempirical

(R)-2-Amino-3-(thiophen-3-yl)propanoic acid

C7H9NO2SCAS 152612-26-5171.21 g/mol

Open in Covalent MOL file
SOHOH2N
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
logP
0.70Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
152612-26-5
SMILES
C1=CSC=C1C[C@H](C(=O)O)N
InChIKey
VOIZSAUUYAGTMS-ZCFIWIBFSA-N
InChI
InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m1/s1

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Names and synonyms

1 names
  • D-3-Thienylalanine

Work with (R)-2-Amino-3-(thiophen-3-yl)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

Phenylalanine63-91-261 % similar D-Phenylalanine673-06-361 % similar D-Tyrosine556-02-559 % similar Dl-tyrosine556-03-659 % similar Tyrosine60-18-459 % similar (βS)-β-Amino-3-thiophenebutanoic acid270262-99-259 % similar 4-Amino-dl-phenylalanine2922-41-058 % similar (αR)-α-Amino-4-pyridinepropanoic acid37535-50-558 % similar

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

Same formula

N-Phenylmethanesulfonamide1197-22-4 2-Thienylalanine2021-58-1 Ethyl 4-methylthiazole-5-carboxylate20582-55-2 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 (αS)-α-Amino-3-thiophenepropanoic acid3685-51-6 Phenylmethanesulfonamide4563-33-1 N-Methylbenzenesulfonamide5183-78-8 4-(Methylsulfonyl)aniline5470-49-5

Elsewhere

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