chempirical

(S)-Proline tert-butyl ester hydrochloride

C9H18ClNO2CAS 5497-76-7207.70 g/mol

Open in Covalent MOL file
OOHNHCl
EsterSecondary amine

Properties

Molecular formula
C9H18ClNO2
Molar mass
207.70 g/mol
Exact mass
207.1026 Da
Melting point
109–111 °C
logP
1.50Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
5497-76-7
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1.Cl
InChIKey
IUUYANMOEMBTBV-FJXQXJEOSA-N
InChI
InChI=1S/C9H17NO2.ClH/c1-9(2,3)12-8(11)7-5-4-6-10-7;/h7,10H,4-6H2,1-3H3;1H/t7-;/m0./s1

Weigh it out

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

Names and synonyms

7 names
  • L-Proline, 1,1-dimethylethyl ester, hydrochloride (1:1)
  • Proline, tert-butyl ester, hydrochloride, L-
  • L-Proline, 1,1-dimethylethyl ester, hydrochloride
  • Proline, tert-butyl ester, hydrochloride
  • tert-Butyl L-prolinate hydrochloride
  • L-Proline tert-butyl ester hydrochloride
  • tert-Butyl (S)-pyrrolidine-2-carboxylate hydrochloride

Work with (S)-Proline tert-butyl 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

L-Proline 1,1-dimethylethyl ester2812-46-690 % similar Methyl prolinate hydrochloride2133-40-664 % similar (R)-Proline methyl ester hydrochloride65365-28-864 % similar H-D-Pro-oet hcl131477-20-861 % similar D-Proline methyl ester43041-12-956 % similar Methyl pipecolinate41994-45-050 % similar N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride13288-57-849 % similar L-Proline benzyl ester hydrochloride16652-71-449 % similar

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

Same formula

Methacryloyloxyethyltrimethylammonium chloride homopolymer26161-33-1 [2-(Methacryloyloxy)ethyl]trimethylammonium chloride5039-78-1

Elsewhere

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