chempirical

D-Phenylglycine methyl ester hydrochloride

C9H12ClNO2CAS 19883-41-1201.65 g/mol

Open in Covalent MOL file
OOH2NHCl
EsterPrimary amine

Properties

Molecular formula
C9H12ClNO2
Molar mass
201.65 g/mol
Exact mass
201.0557 Da
Melting point
198–201 °C
logP
1.28Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
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
19883-41-1
SMILES
COC(=O)[C@H](N)c1ccccc1.Cl
InChIKey
DTHMTBUWTGVEFG-DDWIOCJRSA-N
InChI
InChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m1./s1

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Names and synonyms

16 names · show all
  • Benzeneacetic acid, α-amino-, methyl ester, hydrochloride (1:1), (αR)-
  • Glycine, 2-phenyl-, methyl ester, hydrochloride, D-
  • Benzeneacetic acid, α-amino-, methyl ester, hydrochloride, (R)-
  • Benzeneacetic acid, α-amino-, methyl ester, hydrochloride, (αR)-
  • Methyl D-phenylglycinate hydrochloride
  • D-α-Aminophenylacetic acid methyl ester hydrochloride
  • Methyl D-α-phenylglycine hydrochloride
  • Methyl (R)-phenylglycinate hydrochloride
  • (R)-Phenylglycine methyl ester hydrochloride
  • Methyl D-α-phenylglycinate hydrochloride
  • (R)-(-)-2-Phenylglycine methyl ester hydrochloride
  • ((R)-2-Methoxy-2-oxo-1-phenylethyl)ammonium chloride
  • (R)-Methyl 2-amino-2-phenylacetate hydrochloride
  • Methyl (R)-amino(phenyl)acetate hydrochloride
  • (R)-2-Phenylglycine methyl ester hydrochloride
  • Methyl (R)-2-amino-2-phenylacetate hydrochloride

Work with D-Phenylglycine methyl ester 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.

H-Phg-ome hcl15028-39-4Enantiomer

Similar compounds

D-4-Hydroxyphenylglycine methyl ester hydrochloride57591-61-470 % similar Ethyl D-phenylglycinate hydrochloride17609-48-266 % similar Methyl (alphaR)-alpha-amino-4-hydroxybenzeneacetate37763-23-862 % similar Methyl alpha-phenylbenzeneacetate3469-00-959 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-657 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-857 % similar Methyl L-phenylalaninate hydrochloride7524-50-757 % similar Methyl 2-phenylacetoacetate16648-44-555 % similar

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

Same formula

3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-1 Methyl 3-(aminomethyl)benzoate hydrochloride17841-68-8 Benzocaine hydrochloride23239-88-5 Glycine benzyl ester monohydrochloride2462-31-9 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-1 Methyl 4-(aminomethyl)benzoate hydrochloride6232-11-7 N-Benzylglycine hydrochloride7689-50-1

Elsewhere

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