chempirical

(R)-3-N-Cbz-aminopyrrolidine

C12H16N2O2CAS 879275-77-1220.27 g/mol

Open in Covalent MOL file
HNNHOO
CarbamateSecondary 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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