chempirical

L-Proline benzyl ester hydrochloride

C12H16ClNO2CAS 16652-71-4241.72 g/mol

Open in Covalent MOL file
HClOONH
EsterSecondary amine

Properties

Molecular formula
C12H16ClNO2
Molar mass
241.72 g/mol
Exact mass
241.0870 Da
Melting point
143–144 °C
logP
1.90Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
16652-71-4
SMILES
Cl.O=C(OCc1ccccc1)[C@@H]1CCCN1
InChIKey
NEDMOHHWRPHBAL-MERQFXBCSA-N
InChI
InChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H/t11-;/m0./s1

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

Names and synonyms

13 names · show all
  • L-Proline, phenylmethyl ester, hydrochloride (1:1)
  • Proline, benzyl ester, hydrochloride, L-
  • L-Proline, phenylmethyl ester, hydrochloride
  • Benzyl L-prolinate hydrochloride
  • Benzyl (-)-L-prolinate hydrochloride
  • L-Proline benzyl ester monohydrochloride
  • (S)-Proline benzyl ester hydrochloride
  • Proline phenylmethyl ester hydrochloride
  • Benzyl prolinate hydrochloride
  • NSC 197199
  • NSC 71043
  • (S)-Pyrrolidine-2-carboxylic acid benzyl ester hydrochloride
  • (S)-Benzyl pyrrolidine-2-carboxylate hydrochloride

Work with L-Proline 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

Similar compounds

(2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid benzyl ester hydrochloride87269-87-260 % similar Cyclopenta[B]pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3ar,6ar)-rel-93779-29-460 % similar H-D-Pro-oet hcl131477-20-857 % similar Dibenzyl L-glutamate hydrochloride4561-10-854 % similar Phenylmethyl (2S,3as,6as)-octahydrocyclopenta[B]pyrrole-2-carboxylate93779-31-854 % similar Phenylalanine benzyl ester hydrochloride2462-32-053 % similar Alanine benzyl ester hydrochloride5557-83-553 % similar Methyl prolinate hydrochloride2133-40-652 % similar

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

Elsewhere

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