D-4-Hydroxyphenylglycine methyl ester hydrochloride

C9H12ClNO3CAS 57591-61-4217.65 g/mol

Open in Covalent MOL file
OOOHH2NHCl
EsterPhenolPrimary amine

Properties

Molecular formula
C9H12ClNO3
Molar mass
217.65 g/mol
Exact mass
217.0506 Da
logP
0.99Crippen 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.

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Identifiers

CAS number
57591-61-4
SMILES
COC(=O)[C@@H](C1=CC=C(C=C1)O)N.Cl
InChIKey
UYCKVJUNDXPDJH-DDWIOCJRSA-N
InChI
InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1

Weigh it out

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

Work with D-4-Hydroxyphenylglycine 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.

Methyl (alphaR)-alpha-amino-4-hydroxybenzeneacetate37763-23-8Free base

Similar compounds

H-Phg-ome hcl15028-39-470 % similar D-Phenylglycine methyl ester hydrochloride19883-41-170 % similar Methyl L-tyrosinate hydrochloride3417-91-260 % similar Methyl D-tyrosinate hydrochloride3728-20-960 % similar Methyl L-tyrosinate1080-06-453 % similar D-P-Hydroxyphenylglycine22818-40-253 % similar Oxfenicine32462-30-953 % similar 4-Hydroxyphenylglycine938-97-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2R,3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid hydrochloride132201-32-2 Tyrosine hydrochloride16870-43-2 α-Methylamino-3′,4′-dihydroxyacetophenone hydrochloride62-13-5

Elsewhere

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