chempirical

Methyl (alphaR)-alpha-amino-4-hydroxybenzeneacetate

C9H11NO3CAS 37763-23-8181.19 g/mol

Open in Covalent MOL file
OOH2NOH
EsterPhenolPrimary amine

Properties

Molecular formula
C9H11NO3
Molar mass
181.19 g/mol
Exact mass
181.0739 Da
logP
0.56Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
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
37763-23-8
SMILES
COC(=O)[C@H](N)c1ccc(O)cc1
InChIKey
SZBDOFWNZVHVGR-MRVPVSSYSA-N
InChI
InChI=1S/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3/t8-/m1/s1

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Names and synonyms

9 names
  • Methyl (αR)-α-amino-4-hydroxybenzeneacetate
  • Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester, (αR)-
  • Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester, (R)-
  • Methyl D-(-)-α-amino-α-(4-hydroxyphenyl)acetate
  • D-(4-Hydroxyphenyl)glycine methyl ester
  • (R)-Methyl (4-hydroxyphenyl)glycinate
  • D-p-Hydroxyphenylglycine methyl ester
  • Methyl (R)-2-amino-2-(4-hydroxyphenyl)acetate
  • (R)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate

Work with Methyl (alphaR)-alpha-amino-4-hydroxybenzeneacetate

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.

D-4-Hydroxyphenylglycine methyl ester hydrochloride57591-61-4Salt

Similar compounds

H-Phg-ome hcl15028-39-462 % similar D-Phenylglycine methyl ester hydrochloride19883-41-162 % similar Methyl L-tyrosinate1080-06-457 % similar D-P-Hydroxyphenylglycine22818-40-257 % similar Oxfenicine32462-30-957 % similar DL-p-Hydroxyphenylglycine938-97-657 % similar Methyl L-tyrosinate hydrochloride3417-91-253 % similar Methyl D-tyrosinate hydrochloride3728-20-953 % similar

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

Same formula

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

Elsewhere

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