chempirical

(S)-1-Cbz-3-aminopyrrolidine hydrochloride

C12H17ClN2O2CAS 550378-39-7256.73 g/mol

Open in Covalent MOL file
NH2NOOHCl
CarbamatePrimary amine

Properties

Molecular formula
C12H17ClN2O2
Molar mass
256.73 g/mol
Exact mass
256.0979 Da
logP
1.78Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin 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
550378-39-7
SMILES
C1CN(C[C@H]1N)C(=O)OCC2=CC=CC=C2.Cl
InChIKey
QNQVBYGRFHOBNO-MERQFXBCSA-N
InChI
InChI=1S/C12H16N2O2.ClH/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H/t11-;/m0./s1

Weigh it out

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

Work with (S)-1-Cbz-3-aminopyrrolidine hydrochloride

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.

Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-6Free base, enantiomer (S)-1-Cbz-3-aminopyrrolidine122536-72-5Free base Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-5Free base, stereo not defined

Similar compounds

(R)-3-Amino-1-N-cbz-piperidine1044560-96-479 % similar Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-379 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-178 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-273 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-163 % similar Benzyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate66207-08-763 % similar 3-Formyl-pyrrolidine-1-carboxylicacidbenzylester276872-86-762 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-060 % similar

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

Same formula

S-3-Cbz-amino pyrrolidine-hcl1217631-74-7 Benzenepropanenitrile, α-amino-3,4-dimethoxy-α-methyl-, hydrochloride (1:1), (αS)-2544-13-0

Elsewhere

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