(2R,3S)-3-Phenylisoserine

C9H11NO3CAS 136561-53-0181.19 g/mol

Open in Covalent MOL file
OHOOHNH2
AlcoholCarboxylic acidPrimary amine

Properties

Molecular formula
C9H11NO3
Molar mass
181.19 g/mol
Exact mass
181.0739 Da
logP
0.13Crippen 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.

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Identifiers

CAS number
136561-53-0
SMILES
C1=CC=C(C=C1)[C@@H]([C@H](C(=O)O)O)N
InChIKey
RZARFIRJROUVLM-JGVFFNPUSA-N
InChI
InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1

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Names and synonyms

1 names
  • 3-Phenylisoserine, (2R,3S)-

Work with (2R,3S)-3-Phenylisoserine

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-Amino-2-hydroxy-3-phenylpropanoic acid hydrochloride132201-32-2Salt

Similar compounds

Phenylglycine2835-06-558 % similar L-Phenylglycine2935-35-558 % similar DL-Phenylglycine69-91-058 % similar (-)-Phenylglycine875-74-158 % similar 3-Amino-2-hydroxy-4-phenylbutanoic acid59554-14-255 % similar (S)-Mandelic acid17199-29-055 % similar (-)-Mandelic acid611-71-255 % similar Mandelic acid611-72-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 3,5-Dimethoxybenzamide17213-58-0 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-4 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 2-amino-5-methoxybenzoate2475-80-1 Methyl 3-amino-4-methoxybenzoate24812-90-6

Elsewhere

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