(S)-1-Cbz-3-aminopyrrolidine

C₁₂H₁₆N₂O₂CAS 122536-72-5220.27 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₂H₁₆N₂O₂
Molar mass: 220.27 g/mol
Exact mass: 220.1212 Da
logP: 1.36Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

122536-72-5

SMILES

C1CN(C[C@H]1N)C(=O)OCC2=CC=CC=C2

InChIKey

FPXJNSKAXZNWMQ-NSHDSACASA-N

InChI

InChI=1S/C12H16N2O2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2/t11-/m0/s1

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Names and synonyms

1 names

(S)-3-Amino-1-cbz-pyrrolidine

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

Similar compounds

(R)-3-Amino-1-N-cbz-piperidine1044560-96-485 % similar Phenylmethyl 3-amino-1-piperidinecarboxylate711002-74-385 % similar 4-Amino-piperidine-1-carboxylic acid benzyl ester120278-07-184 % similar Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-279 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-167 % similar (S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-064 % similar N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-563 % similar Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-162 % similar

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

Same formula

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 1-Piperonylpiperazine32231-06-4 1-Acetyl-4-(4-hydroxyphenyl)piperazine67914-60-7 1-[4-(3-Hydroxyphenyl)-1-piperazinyl]ethanone67915-02-0

Elsewhere

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