(R)-4-Amino-3-phenylbutanoic acid

C10H13NO2CAS 35568-36-6179.22 g/mol

Open in Covalent MOL file
OOHNH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
logP
1.20Crippen 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
35568-36-6
SMILES
C1=CC=C(C=C1)[C@@H](CC(=O)O)CN
InChIKey
DAFOCGYVTAOKAJ-VIFPVBQESA-N
InChI
InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

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Names and synonyms

1 names
  • 4-Amino-3-phenylbutyric acid, (R)-

Work with (R)-4-Amino-3-phenylbutanoic 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-phenylbutanoic acid62596-63-8Enantiomer Phenibut1078-21-3Stereo not defined 4-Amino-3-phenylbutyric acid hydrochloride3060-41-1Salt, stereo not defined

Similar compounds

3-Phenylglutaric acid4165-96-277 % similar Baclofen1134-47-069 % similar (S)-Baclofen66514-99-669 % similar (R)-4-Amino-3-P-tolylbutanoic acid67112-56-569 % similar (S)-4-Amino-3-P-tolylbutanoic acid67112-57-669 % similar (-)-Baclofen69308-37-869 % similar (R)-4-Amino-3-(4-fluorophenyl)butanoic acid741217-33-469 % similar (S)-4-Amino-3-(4-fluorophenyl)butanoic acid747371-90-069 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 DL-α-Methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-[(2-Hydroxyethyl)(methyl)amino]benzaldehyde1201-91-8 Propham122-42-9

Elsewhere

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