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

C10H13NO3CAS 59554-14-2195.22 g/mol

Open in Covalent MOL file
OOHHONH2
AlcoholCarboxylic acidPrimary 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 Ų
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.

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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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