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.

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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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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 Ethyl trans-4-hydroxy-L-prolinate 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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