Phenylalanine benzyl ester hydrochloride

C16H18ClNO2CAS 2462-32-0291.77 g/mol

Open in Covalent MOL file
HClNH2OO
EsterPrimary amine

Properties

Molecular formula
C16H18ClNO2
Molar mass
291.77 g/mol
Exact mass
291.1026 Da
Melting point
202 °C
logP
2.72Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 3 ECHA notifiers. Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
2462-32-0
SMILES
Cl.N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIKey
CEXFHIYDTRNBJD-RSAXXLAASA-N
InChI
InChI=1S/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-;/m0./s1

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

Names and synonyms

9 names
  • L-Phenylalanine, phenylmethyl ester, hydrochloride (1:1)
  • Alanine, phenyl-, benzyl ester, hydrochloride, L-
  • L-Phenylalanine, phenylmethyl ester, hydrochloride
  • Alanine, phenyl-, benzyl ester, hydrochloride
  • L-Phenylalanine benzyl ester hydrochloride
  • Benzyl L-phenylalaninate hydrochloride
  • Benzyl phenylalaninate hydrochloride
  • NSC 522226
  • Benzyl (S)-2-amino-3-phenylpropanoate hydrochloride

Work with Phenylalanine benzyl 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.

L-Phenylalanine benzyl ester p-toluenesulfonate1738-78-9Salt

Similar compounds

O-Benzyl-L-tyrosine benzyl ester hydrochloride52142-01-583 % similar D-Serine benzyl ester hydrochloride151651-44-474 % similar Phenylalanine ethyl ester hydrochloride3182-93-274 % similar L-Serine benzyl ester hydrochloride60022-62-074 % similar H-D-Phe-oet hcl63060-94-674 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-669 % similar Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-869 % similar Methyl L-phenylalaninate hydrochloride7524-50-769 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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