tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate

C₁₀H₁₈N₂O₃CAS 122684-34-8214.26 g/mol

Open in Covalent MOL file

Amide Carbamate

Properties

Molecular formula: C₁₀H₁₈N₂O₃
Molar mass: 214.26 g/mol
Exact mass: 214.1317 Da
logP: 0.73Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

122684-34-8

SMILES

CC(C)(C)OC(=O)N1CCC(C1)C(=O)N

InChIKey

NHDGOVOBEZPXMY-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-5-4-7(6-12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)

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Names and synonyms

1 names

3-Aminocarbonyl-1-boc-pyrrolidine

Work with tert-Butyl 3-carbamoylpyrrolidine-1-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

Similar compounds

3-Carbamoyl-piperidine-1-carboxylic acid tert-butyl ester91419-49-786 % similar 1-(tert-Butoxycarbonyl)piperidine-4-carboxamide91419-48-683 % similar (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-566 % similar 1-((tert-Butoxy)carbonyl)pyrrolidine-3-carboxylic acid59378-75-566 % similar (3R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid72925-16-766 % similar 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-764 % similar (S)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester313706-15-964 % similar 1-tert-Butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate441717-40-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester190900-21-1 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-3 Desthiobiotin533-48-2 D-1-N-Boc-prolinamide70138-72-6

Elsewhere

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