chempirical

H-D-Pro-obzl hcl

C12H16ClNO2CAS 53843-90-6241.72 g/mol

Open in Covalent MOL file
HNOOHCl
EsterSecondary amine

Properties

Molecular formula
C12H16ClNO2
Molar mass
241.72 g/mol
Exact mass
241.0870 Da
logP
1.90Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
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
53843-90-6
SMILES
C1C[C@@H](NC1)C(=O)OCC2=CC=CC=C2.Cl
InChIKey
NEDMOHHWRPHBAL-RFVHGSKJSA-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-;/m1./s1

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Names and synonyms

1 names
  • Benzyl (2R)-pyrrolidine-2-carboxylate hydrochloride

Work with H-D-Pro-obzl hcl

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-Proline benzyl ester hydrochloride16652-71-4Enantiomer

Similar compounds

H-Hyp-obzl hcl62147-27-761 % similar (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 Benzyl (2S)-4-oxoazetidine-2-carboxylate72776-05-755 % 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

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

Elsewhere

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