chempirical

H-Hyp-obzl hcl

C12H16ClNO3CAS 62147-27-7257.71 g/mol

Open in Covalent MOL file
NHOOHOHCl
AlcoholEsterSecondary amine

Properties

Molecular formula
C12H16ClNO3
Molar mass
257.71 g/mol
Exact mass
257.0819 Da
logP
0.87Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
R, Sin 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
62147-27-7
SMILES
C1[C@H](CN[C@@H]1C(=O)OCC2=CC=CC=C2)O.Cl
InChIKey
LVYXMDJSWLEZMP-DHXVBOOMSA-N
InChI
InChI=1S/C12H15NO3.ClH/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9;/h1-5,10-11,13-14H,6-8H2;1H/t10-,11+;/m1./s1

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Work with H-Hyp-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

Similar compounds

L-Proline benzyl ester hydrochloride16652-71-461 % similar H-D-Pro-obzl hcl53843-90-661 % similar Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-860 % similar Hydroxyproline ethyl ester hydrochloride33996-30-459 % similar (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid benzyl ester hydrochloride87269-87-255 % similar Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2R,3aR,6aR)-rel-93779-29-455 % similar L-Tartaric acid dibenzyl ester622-00-455 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride114676-59-455 % similar

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

Same formula

4-Benzylmorpholine-2-carboxylic acid hydrochloride135072-15-0

Elsewhere

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