chempirical

(S)-3-N-Cbz-aminopyrrolidine

C12H16N2O2CAS 176970-12-0220.27 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
Sin SMILES atom order

Identifiers

CAS number
176970-12-0
SMILES
C1CNC[C@H]1NC(=O)OCC2=CC=CC=C2
InChIKey
DSOICHFMGRBFCM-NSHDSACASA-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-/m0/s1

Weigh it out

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

Work with (S)-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-Cbz-amino pyrrolidine-hcl1217631-74-7Salt

Similar compounds

3-Cbz-aminopiperidine hcl31648-54-184 % 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 4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid34771-04-558 % similar N-Cbz-L-homoserine lactone35677-89-557 % 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 1-Acetyl-4-(4-hydroxyphenyl)piperazine67914-60-7

Elsewhere

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