(R)-4-Amino-3-(4-fluorophenyl)butanoic acid

C10H12FNO2CAS 741217-33-4197.21 g/mol

Open in Covalent MOL file
OHOH2NF
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C10H12FNO2
Molar mass
197.21 g/mol
Exact mass
197.0852 Da
logP
1.34Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
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
741217-33-4
SMILES
C1=CC(=CC=C1[C@@H](CC(=O)O)CN)F
InChIKey
QWHXHLDNSXLAPX-QMMMGPOBSA-N
InChI
InChI=1S/C10H12FNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1

Weigh it out

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

Work with (R)-4-Amino-3-(4-fluorophenyl)butanoic 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

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.

(S)-4-Amino-3-(4-fluorophenyl)butanoic acid747371-90-0Enantiomer

Similar compounds

Phenibut1078-21-369 % similar (R)-4-Amino-3-phenylbutanoic acid35568-36-669 % similar (S)-4-Amino-3-phenylbutanoic acid62596-63-869 % similar Baclofen1134-47-068 % similar (S)-Baclofen66514-99-668 % similar (R)-4-Amino-3-P-tolylbutanoic acid67112-56-568 % similar (S)-4-Amino-3-P-tolylbutanoic acid67112-57-668 % similar (-)-Baclofen69308-37-868 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(βS)-β-Amino-3-fluorobenzenebutanoic acid270596-50-4

Elsewhere

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