H-D-Pro-oet hcl

C₇H₁₄ClNO₂CAS 131477-20-8179.64 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₇H₁₄ClNO₂
Molar mass: 179.64 g/mol
Exact mass: 179.0713 Da
logP: 0.72Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

131477-20-8

SMILES

CCOC(=O)[C@H]1CCCN1.Cl

InChIKey

DUJGQVVONTYHLT-FYZOBXCZSA-N

InChI

InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-4-3-5-8-6;/h6,8H,2-5H2,1H3;1H/t6-;/m1./s1

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Work with H-D-Pro-oet 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

Ethyl 2-piperidinecarboxylate15862-72-381 % similar Ethyl 2-piperidinecarboxylate35677-84-081 % similar Methyl prolinate hydrochloride2133-40-666 % similar (R)-Proline methyl ester hydrochloride65365-28-866 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-761 % similar Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate74892-82-358 % similar L-Proline benzyl ester hydrochloride16652-71-457 % similar D-Proline methyl ester43041-12-957 % similar

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

Same formula

Cadabine hydrochloride4136-37-2 1-Methylisonipecotic acid hydrochloride71985-80-3 Methyl isonipecotate hydrochloride7462-86-4

Elsewhere

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