S-3-Cbz-amino pyrrolidine-hcl

C₁₂H₁₇ClN₂O₂CAS 1217631-74-7256.73 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₂H₁₇ClN₂O₂
Molar mass: 256.73 g/mol
Exact mass: 256.0979 Da
logP: 1.70Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1217631-74-7

SMILES

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

InChIKey

NTYLNBDQPCIAMI-MERQFXBCSA-N

InChI

InChI=1S/C12H16N2O2.ClH/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);1H/t11-;/m0./s1

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Names and synonyms

1 names

(S)-Benzyl pyrrolidin-3-ylcarbamate hydrochloride

Work with S-3-Cbz-amino pyrrolidine-hcl

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

Benzyl 3-oxocyclobutylcarbamate130369-36-758 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-354 % similar L-Proline benzyl ester hydrochloride16652-71-449 % similar Z-D-Gln-oh13139-52-146 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-946 % similar Glycine benzyl ester monohydrochloride2462-31-944 % similar Phenylalanine benzyl ester hydrochloride2462-32-043 % similar Alanine benzyl ester hydrochloride5557-83-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzenepropanenitrile, α-amino-3,4-dimethoxy-α-methyl-, hydrochloride (1:1), (αS)-2544-13-0

Elsewhere

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