3-Formyl-pyrrolidine-1-carboxylicacidbenzylester

C₁₃H₁₅NO₃CAS 276872-86-7233.27 g/mol

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Aldehyde Carbamate

Properties

Molecular formula: C₁₃H₁₅NO₃
Molar mass: 233.27 g/mol
Exact mass: 233.1052 Da
logP: 1.84Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

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

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

276872-86-7

SMILES

C1CN(CC1C=O)C(=O)OCC2=CC=CC=C2

InChIKey

GDPSCBPOCONUDM-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2

Weigh it out

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Names and synonyms

1 names

Benzyl 3-formylpyrrolidine-1-carboxylate

Work with 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester

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

4-Formylpiperidine-1-carboxylic acid benzyl ester138163-08-385 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-166 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-566 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-666 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-566 % similar Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate66207-08-766 % similar 3-Hydroxy-1-N-cbz-pyrrolidine95656-88-566 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-8 (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-5 Mecarbinate15574-49-9 3-(Cyclopentyloxy)-4-methoxyphenyl isocyanate185300-51-0 Benzyl 4-oxo-1-piperidinecarboxylate19099-93-5 N-Boc-5-hydroxyindole434958-85-7 Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-3 1-Benzoylpiperidine-4-carboxylic acid5274-99-7

Elsewhere

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