(2R,3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid hydrochloride

C9H12ClNO3CAS 132201-32-2217.65 g/mol

Open in Covalent MOL file
HClH2NHOOOH
AlcoholCarboxylic acidPrimary amine

Properties

Molecular formula
C9H12ClNO3
Molar mass
217.65 g/mol
Exact mass
217.0506 Da
Melting point
222–224 °C (decomposes)
logP
0.55Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
S, Rin 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
132201-32-2
SMILES
Cl.N[C@@H](c1ccccc1)[C@@H](O)C(=O)O
InChIKey
OTJZSGZNPDLQAJ-KZYPOYLOSA-N
InChI
InChI=1S/C9H11NO3.ClH/c10-7(8(11)9(12)13)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H/t7-,8+;/m0./s1

Weigh it out

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

Names and synonyms

4 names
  • Benzenepropanoic acid, β-amino-α-hydroxy-, hydrochloride (1:1), (αR,βS)-
  • Benzenepropanoic acid, β-amino-α-hydroxy-, hydrochloride, [R-(R*,S*)]-
  • Benzenepropanoic acid, β-amino-α-hydroxy-, hydrochloride, (αR,βS)-
  • (2R,3S)-3-Phenylisoserine hydrochloride

Work with (2R,3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid hydrochloride

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.

(2R,3S)-3-Phenylisoserine136561-53-0Free base

Similar compounds

Phenylglycine2835-06-553 % similar L-Phenylglycine2935-35-553 % similar DL-Phenylglycine69-91-053 % similar (-)-Phenylglycine875-74-153 % similar (3S)-3-Amino-3-phenylpropanoic acid hydrochloride83649-47-253 % similar (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-353 % similar (S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-051 % similar 3-Amino-2-hydroxy-4-phenylbutanoic acid59554-14-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tyrosine hydrochloride16870-43-2 D-4-Hydroxyphenylglycine methyl ester hydrochloride57591-61-4 α-Methylamino-3′,4′-dihydroxyacetophenone hydrochloride62-13-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook