3-Amino-2-hydroxy-4-phenylbutanoic acid

C₁₀H₁₃NO₃CAS 59554-14-2195.22 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₃NO₃
Molar mass: 195.22 g/mol
Exact mass: 195.0895 Da
logP: 0.00Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4
Stereocentres: R, Sin 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

59554-14-2

SMILES

C1=CC=C(C=C1)C[C@H]([C@@H](C(=O)O)O)N

InChIKey

LDSJMFGYNFIFRK-BDAKNGLRSA-N

InChI

InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1

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Names and synonyms

1 names

3-Amino-2-hydroxy-4-phenylbutyric acid

Work with 3-Amino-2-hydroxy-4-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

Similar compounds

DL-Phenylalanine150-30-161 % similar Phenylalanine63-91-261 % similar D-Phenylalanine673-06-361 % similar Ubenimex58970-76-660 % similar (-)-3-Phenyllactic acid20312-36-158 % similar (+)-3-Phenyllactic acid7326-19-458 % similar (±)-3-Phenyllactic acid828-01-358 % similar Benzylmalonic acid616-75-157 % similar

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

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

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