(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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

L-Proline 1,1-dimethylethyl ester2812-46-6Free base D-Proline tert-butyl ester hydrochloride184719-80-0Enantiomer

Similar compounds

Methyl prolinate hydrochloride2133-40-664 % similar (R)-Proline methyl ester hydrochloride65365-28-864 % similar H-Dl-pro-ome hcl79397-50-564 % similar H-D-Pro-oet hcl131477-20-861 % similar Piperidine-4-carboxylic acid tert-butyl ester hydrochloride892493-65-158 % similar D-Proline methyl ester43041-12-956 % similar tert-Butyl Piperidine-4-carboxylate138007-24-650 % similar tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

H-Chg-ome hcl14328-63-3 Methacryloyloxyethyltrimethylammonium chloride homopolymer26161-33-1 Methyl trans-4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride29275-88-5 (2-(Methacryloyloxy)ethyl)trimethylammonium chloride5039-78-1

Elsewhere

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