chempirical

Hydroxyproline ethyl ester 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

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

Names and synonyms

9 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)-
  • 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 Hydroxyproline ethyl ester 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 4-Hydroxy-L-proline methyl ester hydrochloride40216-83-968 % similar H-D-Pro-oet hcl131477-20-855 % similar Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate74892-82-351 % similar Ethyl 4-hydroxycyclohexanecarboxylate17159-80-749 % similar trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-049 % similar (-)-Diethyl tartrate13811-71-747 % similar Diethyl tartrate87-91-247 % 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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