D-1-N-Boc-prolinamide

C₁₀H₁₈N₂O₃CAS 70138-72-6214.26 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: 0.87Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

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

Identifiers

CAS number

70138-72-6

SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N

InChIKey

PITJAAIPVBVRAO-SSDOTTSWSA-N

InChI

InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m1/s1

Weigh it out

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

Work with D-1-N-Boc-prolinamide

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.

1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-3Enantiomer

Similar compounds

tert-Butyl 2-carbamoylpiperidine-1-carboxylate388077-74-592 % similar (S)-1-N-Boc-piperidine-2-carboxamide78058-41-092 % similar tert-Butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate101410-18-871 % similar Boc-L-proline15761-39-466 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-166 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-066 % similar Boc-L-pro-ome59936-29-764 % similar Boc-D-pro-ome73323-65-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-8 5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester190900-21-1 Desthiobiotin533-48-2

Elsewhere

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