tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate

C₉H₁₅NO₃CAS 205524-46-5185.22 g/mol

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Amide Ester Lactam

Properties

Molecular formula: C₉H₁₅NO₃
Molar mass: 185.22 g/mol
Exact mass: 185.1052 Da
logP: 0.61Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

205524-46-5

SMILES

CC(C)(C)OC(=O)[C@H]1CCC(=O)N1

InChIKey

QXGSPAGZWRTTOT-ZCFIWIBFSA-N

InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m1/s1

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Names and synonyms

1 names

D-Pyroglutamic acid tert-butyl ester

Work with tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate

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.

5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-7Enantiomer

Similar compounds

L-Proline 1,1-dimethylethyl ester2812-46-654 % similar tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate31140-42-854 % similar D-Proline tert-butyl ester hydrochloride184719-80-050 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-750 % similar (S)-22-(tert-Butoxycarbonyl)-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontane-1,41-dioic acid1118767-16-049 % similar (R)-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylate143996-78-549 % similar tert-Butyl Piperidine-4-carboxylate138007-24-649 % similar Boc-asp-otbu34582-32-647 % similar

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

Same formula

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-7 tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-2 tert-Butyl 3-oxocyclobutylcarbamate154748-49-9 tert-Butyl 3-formylazetidine-1-carboxylate177947-96-5 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-6

Elsewhere

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