(2R,3S)-3-Phenylisoserine

C₉H₁₁NO₃CAS 136561-53-0181.19 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: S, Rin SMILES atom order

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

Similar compounds

(2R,3S)-3-Phenylisoserine hydrochloride132201-32-290 % similar L-Phenylglycine2935-35-558 % similar Dl-phenylglycine69-91-058 % similar (-)-Phenylglycine875-74-158 % similar (S)-Mandelic acid17199-29-055 % similar (-)-Mandelic acid611-71-255 % similar Mandelic acid90-64-255 % similar Diphenylalanine149597-92-254 % 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 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 3-amino-4-methoxybenzoate24812-90-6 Methyl 4-amino-2-methoxybenzoate27492-84-8 Methyl (αR)-α-amino-4-hydroxybenzeneacetate37763-23-8

Elsewhere

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