(R)-3-N-Cbz-aminopyrrolidine

C₁₂H₁₆N₂O₂CAS 879275-77-1220.27 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₂H₁₆N₂O₂
Molar mass: 220.27 g/mol
Exact mass: 220.1212 Da
logP: 1.27Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
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

879275-77-1

SMILES

C1CNC[C@@H]1NC(=O)OCC2=CC=CC=C2

InChIKey

DSOICHFMGRBFCM-LLVKDONJSA-N

InChI

InChI=1S/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m1/s1

Weigh it out

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

Work with (R)-3-N-Cbz-aminopyrrolidine

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.

(S)-3-N-Cbz-aminopyrrolidine176970-12-0Enantiomer S-3-Cbz-amino pyrrolidine-hcl1217631-74-7Salt, enantiomer

Similar compounds

3-Cbz-aminopiperidine hcl31648-54-184 % similar 3-(Cbz-amino)-azetidine914348-04-278 % similar 4-N-Cbz-cyclohexanone16801-63-163 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-763 % similar 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-862 % similar N-Cbz-4-hydroxycyclohexane16801-62-062 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-358 % similar Cbz-D-phenylalaninol58917-85-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-1-Cbz-3-aminopyrrolidine122536-72-5 Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-6 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-5 Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-5 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-6 Benzyl piperazine-1-carboxylate31166-44-6 1-Piperonylpiperazine32231-06-4

Elsewhere

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