chempirical

Ethyl trans-4-hydroxy-L-prolinate hydrochloride

C7H14ClNO3CAS 33996-30-4195.64 g/mol

Open in Covalent MOL file
OOOHHNHCl
AlcoholEsterSecondary amine

Properties

Molecular formula
C7H14ClNO3
Molar mass
195.64 g/mol
Exact mass
195.0662 Da
Melting point
150 °C
logP
-0.31Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
S, 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
33996-30-4
SMILES
CCOC(=O)[C@@H]1C[C@@H](O)CN1.Cl
InChIKey
HHXSZDXMSRXWJV-IBTYICNHSA-N
InChI
InChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1

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Names and synonyms

10 names
  • L-Proline, 4-hydroxy-, ethyl ester, hydrochloride (1:1), (4R)-
  • Proline, 4-hydroxy-, ethyl ester, hydrochloride, L-
  • L-Proline, 4-hydroxy-, ethyl ester, hydrochloride, trans-
  • L-Proline, 4-hydroxy-, ethyl ester, hydrochloride, (4R)-
  • Hydroxyproline ethyl ester hydrochloride
  • L-Hydroxyproline ethyl ester hydrochloride
  • 4-Hydroxy-L-proline ethyl ester hydrochloride
  • (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid ethyl ester hydrochloride
  • trans-4-Hydroxy-L-proline ethyl ester hydrochloride
  • L-4-Hydroxyproline ethyl ester hydrochloride salt

Work with Ethyl trans-4-hydroxy-L-prolinate hydrochloride

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

(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride114676-59-468 % similar cis-4-Hydroxy-L-proline methyl ester hydrochloride40126-30-568 % similar 4-Hydroxy-L-proline methyl ester hydrochloride40216-83-968 % similar H-Hyp-obzl hcl62147-27-759 % similar H-D-Pro-oet hcl131477-20-855 % similar Ethyl L-thiazolidine-4-carboxylate hydrochloride86028-91-354 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-753 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-653 % similar

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

Same formula

Ethyl 3-ethoxy-3-iminopropanoate hydrochloride2318-25-4

Elsewhere

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