chempirical

4-Hydroxy-L-proline methyl ester hydrochloride

C6H12ClNO3CAS 40216-83-9181.62 g/mol

Open in Covalent MOL file
OOOHHNHCl
AlcoholEsterSecondary amine

Properties

Molecular formula
C6H12ClNO3
Molar mass
181.62 g/mol
Exact mass
181.0506 Da
Melting point
169 °C
logP
-0.70Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
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
40216-83-9
SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1.Cl
InChIKey
KLGSHNXEUZOKHH-JBUOLDKXSA-N
InChI
InChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m1./s1

Weigh it out

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

Names and synonyms

18 names · show all
  • L-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-
  • L-Proline, 4-hydroxy-, methyl ester, hydrochloride, trans-
  • Proline, 4-hydroxy-, methyl ester, hydrochloride
  • L-Proline, 4-hydroxy-, methyl ester, hydrochloride, (4R)-
  • Hydroxyproline methyl ester hydrochloride
  • L-Hydroxyproline methyl ester hydrochloride
  • trans-4-Hydroxyproline methyl ester hydrochloride
  • Methyl L-hydroxyprolinate hydrochloride
  • 4-trans-Hydroxy-L-proline methyl ester hydrochloride
  • trans-4-Hydroxy-L-proline methyl ester hydrochloride
  • (4R)-4-Hydroxy-L-proline methyl ester hydrochloride
  • 4-Hydroxyproline methyl ester hydrochloride
  • Methyl (2S,4R)-4-hydroxy-2-pyrrolidinecarboxylate hydrochloride
  • Methyl trans-4-hydroxy-L-prolinate hydrochloride
  • (2S,4R)-Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride
  • (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride
  • Methyl(2S,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
  • 4-Hydroxyproline ester hydrochloride

Work with 4-Hydroxy-L-proline methyl 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride114676-59-4Diastereomer cis-4-Hydroxy-L-proline methyl ester hydrochloride40126-30-5Diastereomer

Similar compounds

Ethyl trans-4-hydroxy-L-prolinate hydrochloride33996-30-468 % similar Methyl Aziridine-2-carboxylate (stabilized with HQ)5950-34-559 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-756 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-656 % similar H-Hyp-obzl hcl62147-27-755 % similar Methyl prolinate hydrochloride2133-40-653 % similar (R)-Proline methyl ester hydrochloride65365-28-853 % similar H-Dl-pro-ome hcl79397-50-553 % similar

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

Same formula

Methyl 5-aminolevulinate hydrochloride79416-27-6

Elsewhere

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