H-D-Pro-obzl hcl

C₁₂H₁₆ClNO₂CAS 53843-90-6241.72 g/mol

Open in Covalent MOL file

Ester Secondary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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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